USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 90 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.13) USER MOD Set 2.1: A 29 TYR OH : rot 178:sc= 1.2 USER MOD Set 2.2: A 97 THR OG1 : rot 121:sc= 0.187 USER MOD Single : A 9 SER OG : rot 180:sc= -0.124 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.00537) USER MOD Single : A 27 LYS NZ :NH3+ -126:sc= -0.343 (180deg=-3.34!) USER MOD Single : A 28 GLN : amide:sc= -0.09 K(o=-0.09,f=-1.8) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -5.13! C(o=-5.1!,f=-13!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.721 USER MOD Single : A 47 ASN : amide:sc= -0.325 X(o=-0.33,f=0) USER MOD Single : A 53 THR OG1 : rot -41:sc= 1.76 USER MOD Single : A 54 SER OG : rot 142:sc= 1 USER MOD Single : A 57 CYS SG : rot -102:sc= -0.18 USER MOD Single : A 59 GLN : amide:sc= -0.209 K(o=-0.21,f=-1.6!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -43:sc= 0.13 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 72 SER OG : rot 180:sc= 0.191 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.765 USER MOD Single : A 80 ASN : amide:sc= -5.27! C(o=-5.3!,f=-4.4!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -160:sc= -0.961 USER MOD Single : A 89 HIS : no HE2:sc= -0.753 K(o=-0.12,f=-4.1!) USER MOD Single : A 95 LYS NZ :NH3+ 149:sc= -0.137 (180deg=-0.762) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 4.292 -5.239 -13.654 1.00 61.15 N ATOM 64 CA VAL A 7 3.007 -5.368 -14.331 1.00 33.32 C ATOM 65 C VAL A 7 1.950 -4.486 -13.678 1.00 23.32 C ATOM 66 O VAL A 7 1.344 -3.636 -14.332 1.00 25.22 O ATOM 67 CB VAL A 7 2.516 -6.829 -14.327 1.00 51.31 C ATOM 68 CG1 VAL A 7 1.167 -6.940 -15.023 1.00 32.34 C ATOM 69 CG2 VAL A 7 3.542 -7.737 -14.986 1.00 14.21 C ATOM 0 HA VAL A 7 3.158 -5.045 -15.361 1.00 33.32 H new ATOM 0 HB VAL A 7 2.392 -7.150 -13.293 1.00 51.31 H new ATOM 0 HG11 VAL A 7 0.836 -7.978 -15.011 1.00 32.34 H new ATOM 0 HG12 VAL A 7 0.437 -6.320 -14.503 1.00 32.34 H new ATOM 0 HG13 VAL A 7 1.261 -6.601 -16.055 1.00 32.34 H new ATOM 0 HG21 VAL A 7 3.179 -8.765 -14.974 1.00 14.21 H new ATOM 0 HG22 VAL A 7 3.700 -7.420 -16.017 1.00 14.21 H new ATOM 0 HG23 VAL A 7 4.484 -7.679 -14.440 1.00 14.21 H new ATOM 79 N LEU A 8 1.732 -4.692 -12.384 1.00 23.31 N ATOM 80 CA LEU A 8 0.747 -3.915 -11.640 1.00 22.10 C ATOM 81 C LEU A 8 1.372 -3.290 -10.398 1.00 62.34 C ATOM 82 O LEU A 8 2.017 -3.975 -9.603 1.00 64.00 O ATOM 83 CB LEU A 8 -0.434 -4.800 -11.240 1.00 22.34 C ATOM 84 CG LEU A 8 -1.296 -5.329 -12.387 1.00 12.30 C ATOM 85 CD1 LEU A 8 -2.327 -6.321 -11.868 1.00 55.52 C ATOM 86 CD2 LEU A 8 -1.979 -4.179 -13.114 1.00 31.43 C ATOM 0 H LEU A 8 2.224 -5.391 -11.828 1.00 23.31 H new ATOM 0 HA LEU A 8 0.390 -3.114 -12.287 1.00 22.10 H new ATOM 0 HB2 LEU A 8 -0.050 -5.652 -10.678 1.00 22.34 H new ATOM 0 HB3 LEU A 8 -1.074 -4.234 -10.563 1.00 22.34 H new ATOM 0 HG LEU A 8 -0.648 -5.847 -13.094 1.00 12.30 H new ATOM 0 HD11 LEU A 8 -2.931 -6.686 -12.699 1.00 55.52 H new ATOM 0 HD12 LEU A 8 -1.818 -7.160 -11.393 1.00 55.52 H new ATOM 0 HD13 LEU A 8 -2.972 -5.828 -11.140 1.00 55.52 H new ATOM 0 HD21 LEU A 8 -2.588 -4.573 -13.927 1.00 31.43 H new ATOM 0 HD22 LEU A 8 -2.614 -3.633 -12.416 1.00 31.43 H new ATOM 0 HD23 LEU A 8 -1.224 -3.506 -13.520 1.00 31.43 H new ATOM 98 N SER A 9 1.176 -1.986 -10.235 1.00 64.22 N ATOM 99 CA SER A 9 1.722 -1.267 -9.088 1.00 2.12 C ATOM 100 C SER A 9 0.914 -1.562 -7.828 1.00 54.55 C ATOM 101 O SER A 9 0.023 -2.410 -7.831 1.00 34.34 O ATOM 102 CB SER A 9 1.733 0.238 -9.361 1.00 11.54 C ATOM 103 OG SER A 9 0.454 0.806 -9.141 1.00 44.23 O ATOM 0 H SER A 9 0.643 -1.405 -10.882 1.00 64.22 H new ATOM 0 HA SER A 9 2.745 -1.607 -8.930 1.00 2.12 H new ATOM 0 HB2 SER A 9 2.465 0.722 -8.715 1.00 11.54 H new ATOM 0 HB3 SER A 9 2.044 0.422 -10.389 1.00 11.54 H new ATOM 0 HG SER A 9 0.488 1.769 -9.321 1.00 44.23 H new ATOM 109 N GLY A 10 1.231 -0.850 -6.750 1.00 30.53 N ATOM 110 CA GLY A 10 0.527 -1.048 -5.496 1.00 14.33 C ATOM 111 C GLY A 10 -0.975 -0.905 -5.647 1.00 54.13 C ATOM 112 O GLY A 10 -1.735 -1.767 -5.210 1.00 53.01 O ATOM 0 H GLY A 10 1.963 -0.140 -6.723 1.00 30.53 H new ATOM 0 HA2 GLY A 10 0.757 -2.039 -5.106 1.00 14.33 H new ATOM 0 HA3 GLY A 10 0.886 -0.326 -4.763 1.00 14.33 H new ATOM 116 N GLY A 11 -1.404 0.192 -6.266 1.00 72.51 N ATOM 117 CA GLY A 11 -2.823 0.427 -6.460 1.00 64.21 C ATOM 118 C GLY A 11 -3.451 -0.574 -7.409 1.00 45.01 C ATOM 119 O GLY A 11 -4.519 -1.117 -7.128 1.00 2.23 O ATOM 0 H GLY A 11 -0.794 0.921 -6.636 1.00 72.51 H new ATOM 0 HA2 GLY A 11 -3.331 0.379 -5.497 1.00 64.21 H new ATOM 0 HA3 GLY A 11 -2.972 1.434 -6.849 1.00 64.21 H new ATOM 123 N GLU A 12 -2.789 -0.816 -8.536 1.00 60.15 N ATOM 124 CA GLU A 12 -3.293 -1.755 -9.531 1.00 62.21 C ATOM 125 C GLU A 12 -3.388 -3.163 -8.949 1.00 33.25 C ATOM 126 O GLU A 12 -4.237 -3.958 -9.355 1.00 71.42 O ATOM 127 CB GLU A 12 -2.387 -1.761 -10.764 1.00 41.12 C ATOM 128 CG GLU A 12 -2.049 -0.370 -11.277 1.00 24.41 C ATOM 129 CD GLU A 12 -1.263 -0.402 -12.574 1.00 25.02 C ATOM 130 OE1 GLU A 12 -0.021 -0.516 -12.510 1.00 13.25 O ATOM 131 OE2 GLU A 12 -1.890 -0.314 -13.650 1.00 11.21 O ATOM 0 H GLU A 12 -1.903 -0.375 -8.783 1.00 60.15 H new ATOM 0 HA GLU A 12 -4.292 -1.433 -9.825 1.00 62.21 H new ATOM 0 HB2 GLU A 12 -1.462 -2.285 -10.523 1.00 41.12 H new ATOM 0 HB3 GLU A 12 -2.874 -2.324 -11.560 1.00 41.12 H new ATOM 0 HG2 GLU A 12 -2.971 0.191 -11.429 1.00 24.41 H new ATOM 0 HG3 GLU A 12 -1.473 0.162 -10.520 1.00 24.41 H new ATOM 138 N LEU A 13 -2.511 -3.465 -7.999 1.00 75.50 N ATOM 139 CA LEU A 13 -2.494 -4.777 -7.361 1.00 50.01 C ATOM 140 C LEU A 13 -3.767 -5.006 -6.553 1.00 51.55 C ATOM 141 O LEU A 13 -4.440 -6.024 -6.710 1.00 14.53 O ATOM 142 CB LEU A 13 -1.269 -4.910 -6.455 1.00 42.03 C ATOM 143 CG LEU A 13 -0.909 -6.330 -6.017 1.00 11.34 C ATOM 144 CD1 LEU A 13 -0.577 -7.192 -7.225 1.00 1.24 C ATOM 145 CD2 LEU A 13 0.258 -6.307 -5.041 1.00 44.02 C ATOM 0 H LEU A 13 -1.802 -2.819 -7.653 1.00 75.50 H new ATOM 0 HA LEU A 13 -2.442 -5.534 -8.144 1.00 50.01 H new ATOM 0 HB2 LEU A 13 -0.411 -4.483 -6.973 1.00 42.03 H new ATOM 0 HB3 LEU A 13 -1.435 -4.307 -5.562 1.00 42.03 H new ATOM 0 HG LEU A 13 -1.772 -6.764 -5.511 1.00 11.34 H new ATOM 0 HD11 LEU A 13 -0.323 -8.199 -6.895 1.00 1.24 H new ATOM 0 HD12 LEU A 13 -1.440 -7.235 -7.890 1.00 1.24 H new ATOM 0 HD13 LEU A 13 0.270 -6.761 -7.758 1.00 1.24 H new ATOM 0 HD21 LEU A 13 0.501 -7.326 -4.740 1.00 44.02 H new ATOM 0 HD22 LEU A 13 1.125 -5.854 -5.522 1.00 44.02 H new ATOM 0 HD23 LEU A 13 -0.015 -5.724 -4.161 1.00 44.02 H new ATOM 157 N ASP A 14 -4.092 -4.050 -5.688 1.00 33.23 N ATOM 158 CA ASP A 14 -5.286 -4.147 -4.856 1.00 54.45 C ATOM 159 C ASP A 14 -6.518 -4.438 -5.707 1.00 71.04 C ATOM 160 O ASP A 14 -7.275 -5.367 -5.423 1.00 51.30 O ATOM 161 CB ASP A 14 -5.490 -2.851 -4.069 1.00 32.00 C ATOM 162 CG ASP A 14 -6.249 -3.072 -2.776 1.00 10.04 C ATOM 163 OD1 ASP A 14 -7.420 -3.503 -2.842 1.00 23.24 O ATOM 164 OD2 ASP A 14 -5.673 -2.816 -1.699 1.00 65.11 O ATOM 0 H ASP A 14 -3.546 -3.200 -5.545 1.00 33.23 H new ATOM 0 HA ASP A 14 -5.146 -4.971 -4.156 1.00 54.45 H new ATOM 0 HB2 ASP A 14 -4.519 -2.408 -3.846 1.00 32.00 H new ATOM 0 HB3 ASP A 14 -6.032 -2.135 -4.687 1.00 32.00 H new ATOM 169 N LYS A 15 -6.714 -3.639 -6.750 1.00 72.22 N ATOM 170 CA LYS A 15 -7.853 -3.810 -7.643 1.00 5.15 C ATOM 171 C LYS A 15 -7.775 -5.148 -8.374 1.00 42.43 C ATOM 172 O LYS A 15 -8.781 -5.841 -8.525 1.00 34.42 O ATOM 173 CB LYS A 15 -7.911 -2.666 -8.656 1.00 15.21 C ATOM 174 CG LYS A 15 -8.779 -1.502 -8.211 1.00 12.51 C ATOM 175 CD LYS A 15 -8.194 -0.803 -6.995 1.00 32.31 C ATOM 176 CE LYS A 15 -8.866 -1.262 -5.711 1.00 0.02 C ATOM 177 NZ LYS A 15 -8.658 -0.295 -4.598 1.00 13.41 N ATOM 0 H LYS A 15 -6.097 -2.865 -6.998 1.00 72.22 H new ATOM 0 HA LYS A 15 -8.761 -3.797 -7.039 1.00 5.15 H new ATOM 0 HB2 LYS A 15 -6.900 -2.304 -8.841 1.00 15.21 H new ATOM 0 HB3 LYS A 15 -8.290 -3.050 -9.603 1.00 15.21 H new ATOM 0 HG2 LYS A 15 -8.879 -0.788 -9.029 1.00 12.51 H new ATOM 0 HG3 LYS A 15 -9.781 -1.862 -7.978 1.00 12.51 H new ATOM 0 HD2 LYS A 15 -7.124 -1.003 -6.939 1.00 32.31 H new ATOM 0 HD3 LYS A 15 -8.311 0.275 -7.103 1.00 32.31 H new ATOM 0 HE2 LYS A 15 -9.934 -1.389 -5.886 1.00 0.02 H new ATOM 0 HE3 LYS A 15 -8.472 -2.237 -5.423 1.00 0.02 H new ATOM 0 HZ1 LYS A 15 -9.132 -0.645 -3.741 1.00 13.41 H new ATOM 0 HZ2 LYS A 15 -7.640 -0.192 -4.413 1.00 13.41 H new ATOM 0 HZ3 LYS A 15 -9.057 0.629 -4.861 1.00 13.41 H new ATOM 191 N TRP A 16 -6.577 -5.502 -8.823 1.00 0.51 N ATOM 192 CA TRP A 16 -6.369 -6.756 -9.536 1.00 10.43 C ATOM 193 C TRP A 16 -6.833 -7.943 -8.698 1.00 15.42 C ATOM 194 O TRP A 16 -7.670 -8.732 -9.135 1.00 70.34 O ATOM 195 CB TRP A 16 -4.893 -6.920 -9.902 1.00 11.52 C ATOM 196 CG TRP A 16 -4.598 -8.200 -10.625 1.00 61.24 C ATOM 197 CD1 TRP A 16 -4.085 -9.345 -10.086 1.00 72.11 C ATOM 198 CD2 TRP A 16 -4.797 -8.463 -12.018 1.00 71.41 C ATOM 199 NE1 TRP A 16 -3.953 -10.305 -11.060 1.00 54.04 N ATOM 200 CE2 TRP A 16 -4.384 -9.789 -12.253 1.00 14.35 C ATOM 201 CE3 TRP A 16 -5.286 -7.710 -13.088 1.00 64.13 C ATOM 202 CZ2 TRP A 16 -4.445 -10.374 -13.516 1.00 15.30 C ATOM 203 CZ3 TRP A 16 -5.345 -8.291 -14.340 1.00 72.02 C ATOM 204 CH2 TRP A 16 -4.927 -9.613 -14.546 1.00 40.04 C ATOM 0 H TRP A 16 -5.735 -4.938 -8.706 1.00 0.51 H new ATOM 0 HA TRP A 16 -6.962 -6.727 -10.450 1.00 10.43 H new ATOM 0 HB2 TRP A 16 -4.585 -6.080 -10.525 1.00 11.52 H new ATOM 0 HB3 TRP A 16 -4.294 -6.879 -8.992 1.00 11.52 H new ATOM 0 HD1 TRP A 16 -3.822 -9.477 -9.047 1.00 72.11 H new ATOM 0 HE1 TRP A 16 -3.593 -11.249 -10.918 1.00 54.04 H new ATOM 0 HE3 TRP A 16 -5.612 -6.691 -12.939 1.00 64.13 H new ATOM 0 HZ2 TRP A 16 -4.123 -11.392 -13.676 1.00 15.30 H new ATOM 0 HZ3 TRP A 16 -5.720 -7.717 -15.174 1.00 72.02 H new ATOM 0 HH2 TRP A 16 -4.987 -10.039 -15.537 1.00 40.04 H new ATOM 215 N GLU A 17 -6.283 -8.062 -7.495 1.00 65.54 N ATOM 216 CA GLU A 17 -6.641 -9.153 -6.597 1.00 22.22 C ATOM 217 C GLU A 17 -8.142 -9.159 -6.319 1.00 2.42 C ATOM 218 O GLU A 17 -8.717 -10.190 -5.969 1.00 34.24 O ATOM 219 CB GLU A 17 -5.869 -9.036 -5.281 1.00 12.03 C ATOM 220 CG GLU A 17 -4.369 -9.223 -5.436 1.00 2.34 C ATOM 221 CD GLU A 17 -3.649 -9.294 -4.104 1.00 34.12 C ATOM 222 OE1 GLU A 17 -4.307 -9.089 -3.063 1.00 22.25 O ATOM 223 OE2 GLU A 17 -2.427 -9.555 -4.103 1.00 43.33 O ATOM 0 H GLU A 17 -5.588 -7.417 -7.119 1.00 65.54 H new ATOM 0 HA GLU A 17 -6.375 -10.091 -7.084 1.00 22.22 H new ATOM 0 HB2 GLU A 17 -6.061 -8.057 -4.843 1.00 12.03 H new ATOM 0 HB3 GLU A 17 -6.249 -9.779 -4.580 1.00 12.03 H new ATOM 0 HG2 GLU A 17 -4.177 -10.137 -5.998 1.00 2.34 H new ATOM 0 HG3 GLU A 17 -3.962 -8.398 -6.021 1.00 2.34 H new ATOM 230 N LYS A 18 -8.771 -8.000 -6.477 1.00 62.21 N ATOM 231 CA LYS A 18 -10.205 -7.869 -6.244 1.00 2.13 C ATOM 232 C LYS A 18 -10.999 -8.394 -7.436 1.00 72.23 C ATOM 233 O LYS A 18 -11.926 -9.188 -7.274 1.00 1.34 O ATOM 234 CB LYS A 18 -10.569 -6.406 -5.981 1.00 71.22 C ATOM 235 CG LYS A 18 -11.044 -6.144 -4.562 1.00 51.12 C ATOM 236 CD LYS A 18 -12.376 -6.820 -4.286 1.00 2.43 C ATOM 237 CE LYS A 18 -12.388 -7.492 -2.922 1.00 1.21 C ATOM 238 NZ LYS A 18 -13.564 -7.075 -2.108 1.00 31.02 N ATOM 0 H LYS A 18 -8.310 -7.137 -6.766 1.00 62.21 H new ATOM 0 HA LYS A 18 -10.461 -8.464 -5.367 1.00 2.13 H new ATOM 0 HB2 LYS A 18 -9.699 -5.781 -6.185 1.00 71.22 H new ATOM 0 HB3 LYS A 18 -11.350 -6.103 -6.679 1.00 71.22 H new ATOM 0 HG2 LYS A 18 -10.298 -6.506 -3.855 1.00 51.12 H new ATOM 0 HG3 LYS A 18 -11.140 -5.070 -4.402 1.00 51.12 H new ATOM 0 HD2 LYS A 18 -13.177 -6.082 -4.336 1.00 2.43 H new ATOM 0 HD3 LYS A 18 -12.576 -7.561 -5.060 1.00 2.43 H new ATOM 0 HE2 LYS A 18 -12.401 -8.574 -3.051 1.00 1.21 H new ATOM 0 HE3 LYS A 18 -11.471 -7.245 -2.388 1.00 1.21 H new ATOM 0 HZ1 LYS A 18 -13.536 -7.555 -1.186 1.00 31.02 H new ATOM 0 HZ2 LYS A 18 -13.539 -6.045 -1.963 1.00 31.02 H new ATOM 0 HZ3 LYS A 18 -14.440 -7.333 -2.606 1.00 31.02 H new ATOM 252 N ILE A 19 -10.628 -7.947 -8.631 1.00 44.52 N ATOM 253 CA ILE A 19 -11.306 -8.375 -9.849 1.00 51.13 C ATOM 254 C ILE A 19 -11.389 -9.895 -9.927 1.00 21.33 C ATOM 255 O ILE A 19 -10.432 -10.598 -9.600 1.00 52.24 O ATOM 256 CB ILE A 19 -10.590 -7.846 -11.107 1.00 61.34 C ATOM 257 CG1 ILE A 19 -10.527 -6.317 -11.078 1.00 14.22 C ATOM 258 CG2 ILE A 19 -11.299 -8.330 -12.363 1.00 74.04 C ATOM 259 CD1 ILE A 19 -9.186 -5.760 -11.503 1.00 61.34 C ATOM 0 H ILE A 19 -9.863 -7.290 -8.782 1.00 44.52 H new ATOM 0 HA ILE A 19 -12.313 -7.960 -9.812 1.00 51.13 H new ATOM 0 HB ILE A 19 -9.571 -8.233 -11.118 1.00 61.34 H new ATOM 0 HG12 ILE A 19 -11.302 -5.917 -11.732 1.00 14.22 H new ATOM 0 HG13 ILE A 19 -10.752 -5.971 -10.069 1.00 14.22 H new ATOM 0 HG21 ILE A 19 -10.781 -7.948 -13.243 1.00 74.04 H new ATOM 0 HG22 ILE A 19 -11.297 -9.420 -12.385 1.00 74.04 H new ATOM 0 HG23 ILE A 19 -12.328 -7.969 -12.362 1.00 74.04 H new ATOM 0 HD11 ILE A 19 -9.214 -4.671 -11.458 1.00 61.34 H new ATOM 0 HD12 ILE A 19 -8.409 -6.131 -10.834 1.00 61.34 H new ATOM 0 HD13 ILE A 19 -8.968 -6.076 -12.523 1.00 61.34 H new ATOM 271 N ARG A 20 -12.539 -10.398 -10.365 1.00 63.35 N ATOM 272 CA ARG A 20 -12.747 -11.836 -10.486 1.00 51.21 C ATOM 273 C ARG A 20 -12.443 -12.311 -11.905 1.00 42.03 C ATOM 274 O ARG A 20 -12.433 -11.519 -12.847 1.00 54.01 O ATOM 275 CB ARG A 20 -14.186 -12.198 -10.113 1.00 72.02 C ATOM 276 CG ARG A 20 -14.560 -11.817 -8.690 1.00 22.44 C ATOM 277 CD ARG A 20 -15.858 -11.028 -8.647 1.00 3.42 C ATOM 278 NE ARG A 20 -16.271 -10.727 -7.279 1.00 4.55 N ATOM 279 CZ ARG A 20 -16.760 -11.636 -6.444 1.00 65.54 C ATOM 280 NH1 ARG A 20 -16.894 -12.896 -6.832 1.00 4.45 N ATOM 281 NH2 ARG A 20 -17.115 -11.285 -5.213 1.00 34.33 N ATOM 0 H ARG A 20 -13.340 -9.831 -10.642 1.00 63.35 H new ATOM 0 HA ARG A 20 -12.064 -12.336 -9.799 1.00 51.21 H new ATOM 0 HB2 ARG A 20 -14.867 -11.702 -10.804 1.00 72.02 H new ATOM 0 HB3 ARG A 20 -14.327 -13.271 -10.242 1.00 72.02 H new ATOM 0 HG2 ARG A 20 -14.661 -12.718 -8.086 1.00 22.44 H new ATOM 0 HG3 ARG A 20 -13.758 -11.225 -8.248 1.00 22.44 H new ATOM 0 HD2 ARG A 20 -15.735 -10.098 -9.201 1.00 3.42 H new ATOM 0 HD3 ARG A 20 -16.644 -11.595 -9.146 1.00 3.42 H new ATOM 0 HE ARG A 20 -16.179 -9.767 -6.947 1.00 4.55 H new ATOM 0 HH11 ARG A 20 -16.621 -13.171 -7.776 1.00 4.45 H new ATOM 0 HH12 ARG A 20 -17.270 -13.591 -6.187 1.00 4.45 H new ATOM 0 HH21 ARG A 20 -17.012 -10.317 -4.909 1.00 34.33 H new ATOM 0 HH22 ARG A 20 -17.491 -11.984 -4.572 1.00 34.33 H new ATOM 295 N LEU A 21 -12.194 -13.608 -12.048 1.00 45.14 N ATOM 296 CA LEU A 21 -11.889 -14.189 -13.350 1.00 2.11 C ATOM 297 C LEU A 21 -13.139 -14.256 -14.222 1.00 10.44 C ATOM 298 O LEU A 21 -13.050 -14.275 -15.451 1.00 61.30 O ATOM 299 CB LEU A 21 -11.297 -15.589 -13.180 1.00 22.12 C ATOM 300 CG LEU A 21 -9.840 -15.651 -12.721 1.00 54.35 C ATOM 301 CD1 LEU A 21 -9.467 -17.067 -12.314 1.00 65.45 C ATOM 302 CD2 LEU A 21 -8.913 -15.148 -13.820 1.00 64.14 C ATOM 0 H LEU A 21 -12.197 -14.277 -11.278 1.00 45.14 H new ATOM 0 HA LEU A 21 -11.157 -13.549 -13.843 1.00 2.11 H new ATOM 0 HB2 LEU A 21 -11.907 -16.135 -12.460 1.00 22.12 H new ATOM 0 HB3 LEU A 21 -11.380 -16.115 -14.131 1.00 22.12 H new ATOM 0 HG LEU A 21 -9.726 -15.004 -11.851 1.00 54.35 H new ATOM 0 HD11 LEU A 21 -8.426 -17.090 -11.991 1.00 65.45 H new ATOM 0 HD12 LEU A 21 -10.109 -17.391 -11.495 1.00 65.45 H new ATOM 0 HD13 LEU A 21 -9.598 -17.736 -13.164 1.00 65.45 H new ATOM 0 HD21 LEU A 21 -7.880 -15.199 -13.476 1.00 64.14 H new ATOM 0 HD22 LEU A 21 -9.031 -15.769 -14.708 1.00 64.14 H new ATOM 0 HD23 LEU A 21 -9.164 -14.116 -14.063 1.00 64.14 H new ATOM 314 N ARG A 22 -14.302 -14.290 -13.580 1.00 64.00 N ATOM 315 CA ARG A 22 -15.570 -14.354 -14.298 1.00 52.01 C ATOM 316 C ARG A 22 -16.676 -13.659 -13.509 1.00 60.02 C ATOM 317 O ARG A 22 -16.576 -13.456 -12.299 1.00 63.24 O ATOM 318 CB ARG A 22 -15.955 -15.810 -14.565 1.00 45.52 C ATOM 319 CG ARG A 22 -15.790 -16.226 -16.017 1.00 32.23 C ATOM 320 CD ARG A 22 -14.867 -17.428 -16.150 1.00 74.31 C ATOM 321 NE ARG A 22 -15.027 -18.102 -17.436 1.00 35.41 N ATOM 322 CZ ARG A 22 -14.456 -17.685 -18.560 1.00 52.54 C ATOM 323 NH1 ARG A 22 -13.691 -16.602 -18.557 1.00 3.12 N ATOM 324 NH2 ARG A 22 -14.649 -18.352 -19.691 1.00 30.13 N ATOM 0 H ARG A 22 -14.393 -14.274 -12.564 1.00 64.00 H new ATOM 0 HA ARG A 22 -15.448 -13.838 -15.250 1.00 52.01 H new ATOM 0 HB2 ARG A 22 -15.344 -16.459 -13.938 1.00 45.52 H new ATOM 0 HB3 ARG A 22 -16.992 -15.963 -14.267 1.00 45.52 H new ATOM 0 HG2 ARG A 22 -16.765 -16.466 -16.441 1.00 32.23 H new ATOM 0 HG3 ARG A 22 -15.388 -15.392 -16.592 1.00 32.23 H new ATOM 0 HD2 ARG A 22 -13.832 -17.105 -16.037 1.00 74.31 H new ATOM 0 HD3 ARG A 22 -15.071 -18.133 -15.344 1.00 74.31 H new ATOM 0 HE ARG A 22 -15.609 -18.939 -17.473 1.00 35.41 H new ATOM 0 HH11 ARG A 22 -13.540 -16.087 -17.690 1.00 3.12 H new ATOM 0 HH12 ARG A 22 -13.254 -16.284 -19.422 1.00 3.12 H new ATOM 0 HH21 ARG A 22 -15.236 -19.186 -19.697 1.00 30.13 H new ATOM 0 HH22 ARG A 22 -14.210 -18.031 -20.554 1.00 30.13 H new ATOM 338 N PRO A 23 -17.757 -13.285 -14.210 1.00 31.24 N ATOM 339 CA PRO A 23 -18.902 -12.607 -13.596 1.00 65.51 C ATOM 340 C PRO A 23 -19.696 -13.530 -12.676 1.00 40.35 C ATOM 341 O PRO A 23 -20.253 -13.091 -11.671 1.00 50.35 O ATOM 342 CB PRO A 23 -19.753 -12.189 -14.798 1.00 3.13 C ATOM 343 CG PRO A 23 -19.393 -13.157 -15.872 1.00 41.45 C ATOM 344 CD PRO A 23 -17.944 -13.495 -15.655 1.00 73.00 C ATOM 0 HA PRO A 23 -18.593 -11.774 -12.965 1.00 65.51 H new ATOM 0 HB2 PRO A 23 -20.817 -12.234 -14.565 1.00 3.13 H new ATOM 0 HB3 PRO A 23 -19.536 -11.164 -15.100 1.00 3.13 H new ATOM 0 HG2 PRO A 23 -20.015 -14.051 -15.817 1.00 41.45 H new ATOM 0 HG3 PRO A 23 -19.549 -12.721 -16.859 1.00 41.45 H new ATOM 0 HD2 PRO A 23 -17.724 -14.523 -15.943 1.00 73.00 H new ATOM 0 HD3 PRO A 23 -17.289 -12.852 -16.243 1.00 73.00 H new ATOM 352 N GLY A 24 -19.744 -14.811 -13.028 1.00 35.11 N ATOM 353 CA GLY A 24 -20.472 -15.774 -12.223 1.00 64.31 C ATOM 354 C GLY A 24 -19.551 -16.683 -11.432 1.00 4.53 C ATOM 355 O GLY A 24 -19.963 -17.748 -10.973 1.00 42.33 O ATOM 0 H GLY A 24 -19.292 -15.199 -13.856 1.00 35.11 H new ATOM 0 HA2 GLY A 24 -21.132 -15.244 -11.536 1.00 64.31 H new ATOM 0 HA3 GLY A 24 -21.106 -16.379 -12.871 1.00 64.31 H new ATOM 359 N GLY A 25 -18.299 -16.263 -11.275 1.00 42.40 N ATOM 360 CA GLY A 25 -17.338 -17.059 -10.536 1.00 32.33 C ATOM 361 C GLY A 25 -17.137 -16.558 -9.119 1.00 73.43 C ATOM 362 O GLY A 25 -17.652 -15.504 -8.746 1.00 24.42 O ATOM 0 H GLY A 25 -17.934 -15.386 -11.647 1.00 42.40 H new ATOM 0 HA2 GLY A 25 -17.675 -18.095 -10.507 1.00 32.33 H new ATOM 0 HA3 GLY A 25 -16.383 -17.049 -11.061 1.00 32.33 H new ATOM 366 N LYS A 26 -16.387 -17.316 -8.327 1.00 71.23 N ATOM 367 CA LYS A 26 -16.118 -16.944 -6.942 1.00 10.34 C ATOM 368 C LYS A 26 -14.631 -16.683 -6.727 1.00 44.13 C ATOM 369 O LYS A 26 -14.241 -16.001 -5.780 1.00 51.42 O ATOM 370 CB LYS A 26 -16.596 -18.049 -5.995 1.00 55.45 C ATOM 371 CG LYS A 26 -17.011 -17.537 -4.627 1.00 62.41 C ATOM 372 CD LYS A 26 -18.512 -17.316 -4.546 1.00 64.05 C ATOM 373 CE LYS A 26 -18.870 -16.299 -3.473 1.00 62.34 C ATOM 374 NZ LYS A 26 -18.620 -14.903 -3.927 1.00 0.10 N ATOM 0 H LYS A 26 -15.954 -18.192 -8.620 1.00 71.23 H new ATOM 0 HA LYS A 26 -16.664 -16.026 -6.725 1.00 10.34 H new ATOM 0 HB2 LYS A 26 -17.439 -18.568 -6.451 1.00 55.45 H new ATOM 0 HB3 LYS A 26 -15.799 -18.782 -5.873 1.00 55.45 H new ATOM 0 HG2 LYS A 26 -16.706 -18.251 -3.862 1.00 62.41 H new ATOM 0 HG3 LYS A 26 -16.493 -16.602 -4.415 1.00 62.41 H new ATOM 0 HD2 LYS A 26 -18.883 -16.973 -5.512 1.00 64.05 H new ATOM 0 HD3 LYS A 26 -19.009 -18.262 -4.332 1.00 64.05 H new ATOM 0 HE2 LYS A 26 -19.920 -16.411 -3.203 1.00 62.34 H new ATOM 0 HE3 LYS A 26 -18.287 -16.499 -2.574 1.00 62.34 H new ATOM 0 HZ1 LYS A 26 -18.444 -14.296 -3.101 1.00 0.10 H new ATOM 0 HZ2 LYS A 26 -17.790 -14.885 -4.553 1.00 0.10 H new ATOM 0 HZ3 LYS A 26 -19.451 -14.552 -4.444 1.00 0.10 H new ATOM 388 N LYS A 27 -13.805 -17.229 -7.613 1.00 21.52 N ATOM 389 CA LYS A 27 -12.361 -17.054 -7.523 1.00 55.02 C ATOM 390 C LYS A 27 -11.952 -15.660 -7.991 1.00 22.03 C ATOM 391 O LYS A 27 -12.531 -15.118 -8.931 1.00 73.13 O ATOM 392 CB LYS A 27 -11.644 -18.115 -8.360 1.00 14.31 C ATOM 393 CG LYS A 27 -11.728 -17.868 -9.856 1.00 75.22 C ATOM 394 CD LYS A 27 -11.659 -19.168 -10.640 1.00 33.01 C ATOM 395 CE LYS A 27 -10.351 -19.902 -10.390 1.00 54.31 C ATOM 396 NZ LYS A 27 -9.572 -20.091 -11.646 1.00 3.20 N ATOM 0 H LYS A 27 -14.112 -17.797 -8.403 1.00 21.52 H new ATOM 0 HA LYS A 27 -12.071 -17.168 -6.478 1.00 55.02 H new ATOM 0 HB2 LYS A 27 -10.595 -18.151 -8.065 1.00 14.31 H new ATOM 0 HB3 LYS A 27 -12.072 -19.092 -8.137 1.00 14.31 H new ATOM 0 HG2 LYS A 27 -12.659 -17.351 -10.089 1.00 75.22 H new ATOM 0 HG3 LYS A 27 -10.913 -17.213 -10.164 1.00 75.22 H new ATOM 0 HD2 LYS A 27 -12.496 -19.808 -10.359 1.00 33.01 H new ATOM 0 HD3 LYS A 27 -11.761 -18.958 -11.705 1.00 33.01 H new ATOM 0 HE2 LYS A 27 -9.752 -19.342 -9.672 1.00 54.31 H new ATOM 0 HE3 LYS A 27 -10.560 -20.874 -9.942 1.00 54.31 H new ATOM 0 HZ1 LYS A 27 -9.343 -21.099 -11.764 1.00 3.20 H new ATOM 0 HZ2 LYS A 27 -10.137 -19.767 -12.457 1.00 3.20 H new ATOM 0 HZ3 LYS A 27 -8.692 -19.540 -11.595 1.00 3.20 H new ATOM 410 N GLN A 28 -10.951 -15.089 -7.329 1.00 32.31 N ATOM 411 CA GLN A 28 -10.465 -13.759 -7.679 1.00 72.33 C ATOM 412 C GLN A 28 -9.206 -13.847 -8.535 1.00 70.30 C ATOM 413 O GLN A 28 -8.663 -14.932 -8.748 1.00 72.10 O ATOM 414 CB GLN A 28 -10.180 -12.948 -6.413 1.00 0.25 C ATOM 415 CG GLN A 28 -11.276 -13.050 -5.366 1.00 61.11 C ATOM 416 CD GLN A 28 -10.896 -13.952 -4.208 1.00 33.21 C ATOM 417 OE1 GLN A 28 -10.051 -14.837 -4.348 1.00 30.02 O ATOM 418 NE2 GLN A 28 -11.519 -13.733 -3.057 1.00 64.03 N ATOM 0 H GLN A 28 -10.461 -15.526 -6.548 1.00 32.31 H new ATOM 0 HA GLN A 28 -11.241 -13.257 -8.257 1.00 72.33 H new ATOM 0 HB2 GLN A 28 -9.240 -13.288 -5.978 1.00 0.25 H new ATOM 0 HB3 GLN A 28 -10.045 -11.901 -6.685 1.00 0.25 H new ATOM 0 HG2 GLN A 28 -11.504 -12.054 -4.986 1.00 61.11 H new ATOM 0 HG3 GLN A 28 -12.185 -13.429 -5.833 1.00 61.11 H new ATOM 0 HE21 GLN A 28 -12.213 -12.988 -2.986 1.00 64.03 H new ATOM 0 HE22 GLN A 28 -11.304 -14.309 -2.243 1.00 64.03 H new ATOM 427 N TYR A 29 -8.747 -12.701 -9.023 1.00 10.31 N ATOM 428 CA TYR A 29 -7.554 -12.649 -9.859 1.00 11.12 C ATOM 429 C TYR A 29 -6.290 -12.719 -9.009 1.00 70.41 C ATOM 430 O TYR A 29 -6.261 -12.235 -7.877 1.00 74.35 O ATOM 431 CB TYR A 29 -7.547 -11.369 -10.696 1.00 15.42 C ATOM 432 CG TYR A 29 -7.961 -11.584 -12.135 1.00 31.41 C ATOM 433 CD1 TYR A 29 -7.077 -12.132 -13.057 1.00 4.42 C ATOM 434 CD2 TYR A 29 -9.234 -11.239 -12.572 1.00 12.01 C ATOM 435 CE1 TYR A 29 -7.451 -12.330 -14.373 1.00 61.22 C ATOM 436 CE2 TYR A 29 -9.616 -11.435 -13.885 1.00 73.21 C ATOM 437 CZ TYR A 29 -8.721 -11.980 -14.781 1.00 2.33 C ATOM 438 OH TYR A 29 -9.098 -12.175 -16.091 1.00 32.31 O ATOM 0 H TYR A 29 -9.183 -11.795 -8.854 1.00 10.31 H new ATOM 0 HA TYR A 29 -7.571 -13.511 -10.525 1.00 11.12 H new ATOM 0 HB2 TYR A 29 -8.218 -10.642 -10.238 1.00 15.42 H new ATOM 0 HB3 TYR A 29 -6.547 -10.937 -10.675 1.00 15.42 H new ATOM 0 HD1 TYR A 29 -6.082 -12.408 -12.740 1.00 4.42 H new ATOM 0 HD2 TYR A 29 -9.937 -10.810 -11.873 1.00 12.01 H new ATOM 0 HE1 TYR A 29 -6.752 -12.756 -15.078 1.00 61.22 H new ATOM 0 HE2 TYR A 29 -10.610 -11.163 -14.208 1.00 73.21 H new ATOM 0 HH TYR A 29 -10.034 -11.907 -16.206 1.00 32.31 H new ATOM 448 N LYS A 30 -5.245 -13.326 -9.561 1.00 33.24 N ATOM 449 CA LYS A 30 -3.976 -13.460 -8.857 1.00 22.42 C ATOM 450 C LYS A 30 -2.803 -13.388 -9.830 1.00 61.30 C ATOM 451 O LYS A 30 -2.981 -13.508 -11.042 1.00 0.44 O ATOM 452 CB LYS A 30 -3.933 -14.782 -8.087 1.00 23.31 C ATOM 453 CG LYS A 30 -3.393 -14.646 -6.674 1.00 24.24 C ATOM 454 CD LYS A 30 -4.498 -14.779 -5.640 1.00 42.45 C ATOM 455 CE LYS A 30 -4.208 -13.941 -4.404 1.00 62.12 C ATOM 456 NZ LYS A 30 -3.923 -14.788 -3.214 1.00 63.33 N ATOM 0 H LYS A 30 -5.253 -13.734 -10.496 1.00 33.24 H new ATOM 0 HA LYS A 30 -3.892 -12.633 -8.152 1.00 22.42 H new ATOM 0 HB2 LYS A 30 -4.939 -15.200 -8.044 1.00 23.31 H new ATOM 0 HB3 LYS A 30 -3.315 -15.493 -8.636 1.00 23.31 H new ATOM 0 HG2 LYS A 30 -2.635 -15.409 -6.498 1.00 24.24 H new ATOM 0 HG3 LYS A 30 -2.903 -13.679 -6.562 1.00 24.24 H new ATOM 0 HD2 LYS A 30 -5.447 -14.468 -6.078 1.00 42.45 H new ATOM 0 HD3 LYS A 30 -4.607 -15.825 -5.354 1.00 42.45 H new ATOM 0 HE2 LYS A 30 -3.356 -13.290 -4.599 1.00 62.12 H new ATOM 0 HE3 LYS A 30 -5.061 -13.296 -4.194 1.00 62.12 H new ATOM 0 HZ1 LYS A 30 -3.731 -14.180 -2.393 1.00 63.33 H new ATOM 0 HZ2 LYS A 30 -4.746 -15.392 -3.012 1.00 63.33 H new ATOM 0 HZ3 LYS A 30 -3.093 -15.386 -3.404 1.00 63.33 H new ATOM 470 N LEU A 31 -1.604 -13.194 -9.291 1.00 42.13 N ATOM 471 CA LEU A 31 -0.401 -13.107 -10.112 1.00 63.21 C ATOM 472 C LEU A 31 -0.297 -14.303 -11.051 1.00 12.34 C ATOM 473 O LEU A 31 0.247 -14.197 -12.151 1.00 1.22 O ATOM 474 CB LEU A 31 0.841 -13.032 -9.223 1.00 72.44 C ATOM 475 CG LEU A 31 1.646 -11.733 -9.302 1.00 3.31 C ATOM 476 CD1 LEU A 31 2.220 -11.545 -10.697 1.00 35.30 C ATOM 477 CD2 LEU A 31 0.776 -10.544 -8.917 1.00 54.12 C ATOM 0 H LEU A 31 -1.439 -13.094 -8.289 1.00 42.13 H new ATOM 0 HA LEU A 31 -0.465 -12.200 -10.714 1.00 63.21 H new ATOM 0 HB2 LEU A 31 0.532 -13.182 -8.188 1.00 72.44 H new ATOM 0 HB3 LEU A 31 1.500 -13.861 -9.483 1.00 72.44 H new ATOM 0 HG LEU A 31 2.474 -11.797 -8.596 1.00 3.31 H new ATOM 0 HD11 LEU A 31 2.789 -10.616 -10.734 1.00 35.30 H new ATOM 0 HD12 LEU A 31 2.876 -12.382 -10.937 1.00 35.30 H new ATOM 0 HD13 LEU A 31 1.407 -11.502 -11.422 1.00 35.30 H new ATOM 0 HD21 LEU A 31 1.364 -9.628 -8.978 1.00 54.12 H new ATOM 0 HD22 LEU A 31 -0.072 -10.478 -9.599 1.00 54.12 H new ATOM 0 HD23 LEU A 31 0.412 -10.674 -7.898 1.00 54.12 H new ATOM 489 N LYS A 32 -0.822 -15.443 -10.612 1.00 55.41 N ATOM 490 CA LYS A 32 -0.791 -16.659 -11.414 1.00 31.21 C ATOM 491 C LYS A 32 -1.342 -16.402 -12.813 1.00 31.24 C ATOM 492 O LYS A 32 -0.857 -16.966 -13.796 1.00 44.12 O ATOM 493 CB LYS A 32 -1.600 -17.765 -10.732 1.00 34.34 C ATOM 494 CG LYS A 32 -0.840 -18.480 -9.628 1.00 34.02 C ATOM 495 CD LYS A 32 -1.759 -19.366 -8.803 1.00 74.43 C ATOM 496 CE LYS A 32 -0.970 -20.243 -7.841 1.00 43.30 C ATOM 497 NZ LYS A 32 -1.666 -21.531 -7.569 1.00 1.43 N ATOM 0 H LYS A 32 -1.274 -15.549 -9.704 1.00 55.41 H new ATOM 0 HA LYS A 32 0.247 -16.979 -11.504 1.00 31.21 H new ATOM 0 HB2 LYS A 32 -2.510 -17.334 -10.315 1.00 34.34 H new ATOM 0 HB3 LYS A 32 -1.907 -18.494 -11.482 1.00 34.34 H new ATOM 0 HG2 LYS A 32 -0.045 -19.085 -10.065 1.00 34.02 H new ATOM 0 HG3 LYS A 32 -0.362 -17.746 -8.979 1.00 34.02 H new ATOM 0 HD2 LYS A 32 -2.458 -18.745 -8.242 1.00 74.43 H new ATOM 0 HD3 LYS A 32 -2.353 -19.994 -9.467 1.00 74.43 H new ATOM 0 HE2 LYS A 32 0.017 -20.444 -8.258 1.00 43.30 H new ATOM 0 HE3 LYS A 32 -0.817 -19.708 -6.904 1.00 43.30 H new ATOM 0 HZ1 LYS A 32 -1.098 -22.100 -6.910 1.00 1.43 H new ATOM 0 HZ2 LYS A 32 -2.597 -21.340 -7.147 1.00 1.43 H new ATOM 0 HZ3 LYS A 32 -1.790 -22.053 -8.460 1.00 1.43 H new ATOM 511 N HIS A 33 -2.356 -15.548 -12.898 1.00 64.30 N ATOM 512 CA HIS A 33 -2.972 -15.214 -14.178 1.00 24.53 C ATOM 513 C HIS A 33 -2.106 -14.228 -14.956 1.00 42.14 C ATOM 514 O HIS A 33 -2.067 -14.353 -16.180 1.00 44.13 O ATOM 515 CB HIS A 33 -4.365 -14.625 -13.959 1.00 42.41 C ATOM 516 CG HIS A 33 -5.205 -15.411 -13.000 1.00 2.15 C ATOM 517 ND1 HIS A 33 -5.950 -14.828 -11.997 1.00 54.13 N ATOM 518 CD2 HIS A 33 -5.417 -16.744 -12.897 1.00 22.11 C ATOM 519 CE1 HIS A 33 -6.582 -15.767 -11.318 1.00 62.52 C ATOM 520 NE2 HIS A 33 -6.276 -16.940 -11.844 1.00 51.14 N ATOM 0 H HIS A 33 -2.770 -15.074 -12.095 1.00 64.30 H new ATOM 0 HA HIS A 33 -3.061 -16.131 -14.761 1.00 24.53 H new ATOM 0 HB2 HIS A 33 -4.265 -13.605 -13.589 1.00 42.41 H new ATOM 0 HB3 HIS A 33 -4.881 -14.567 -14.918 1.00 42.41 H new ATOM 0 HD2 HIS A 33 -4.990 -17.511 -13.526 1.00 22.11 H new ATOM 0 HE1 HIS A 33 -7.238 -15.604 -10.476 1.00 62.52 H new ATOM 0 HE2 HIS A 33 -6.622 -17.844 -11.521 1.00 51.14 H new ATOM 528 N ILE A 34 -1.434 -13.286 -14.302 1.00 15.24 N ATOM 529 CA ILE A 34 -0.594 -12.322 -15.003 1.00 32.33 C ATOM 530 C ILE A 34 0.605 -13.008 -15.650 1.00 13.23 C ATOM 531 O ILE A 34 1.028 -12.639 -16.746 1.00 2.14 O ATOM 532 CB ILE A 34 -0.089 -11.220 -14.053 1.00 23.13 C ATOM 533 CG1 ILE A 34 -1.260 -10.599 -13.289 1.00 4.43 C ATOM 534 CG2 ILE A 34 0.666 -10.154 -14.832 1.00 52.52 C ATOM 535 CD1 ILE A 34 -0.834 -9.610 -12.228 1.00 75.30 C ATOM 0 H ILE A 34 -1.455 -13.170 -13.289 1.00 15.24 H new ATOM 0 HA ILE A 34 -1.212 -11.868 -15.777 1.00 32.33 H new ATOM 0 HB ILE A 34 0.595 -11.668 -13.332 1.00 23.13 H new ATOM 0 HG12 ILE A 34 -1.920 -10.098 -13.997 1.00 4.43 H new ATOM 0 HG13 ILE A 34 -1.840 -11.394 -12.821 1.00 4.43 H new ATOM 0 HG21 ILE A 34 1.016 -9.382 -14.147 1.00 52.52 H new ATOM 0 HG22 ILE A 34 1.520 -10.607 -15.335 1.00 52.52 H new ATOM 0 HG23 ILE A 34 0.003 -9.707 -15.573 1.00 52.52 H new ATOM 0 HD11 ILE A 34 -1.716 -9.210 -11.728 1.00 75.30 H new ATOM 0 HD12 ILE A 34 -0.198 -10.111 -11.498 1.00 75.30 H new ATOM 0 HD13 ILE A 34 -0.280 -8.794 -12.692 1.00 75.30 H new ATOM 547 N VAL A 35 1.149 -14.009 -14.965 1.00 51.10 N ATOM 548 CA VAL A 35 2.297 -14.749 -15.475 1.00 61.53 C ATOM 549 C VAL A 35 1.865 -15.811 -16.479 1.00 15.22 C ATOM 550 O VAL A 35 2.549 -16.052 -17.474 1.00 21.32 O ATOM 551 CB VAL A 35 3.079 -15.426 -14.334 1.00 32.40 C ATOM 552 CG1 VAL A 35 4.253 -16.220 -14.888 1.00 40.12 C ATOM 553 CG2 VAL A 35 3.555 -14.390 -13.326 1.00 62.01 C ATOM 0 H VAL A 35 0.813 -14.326 -14.056 1.00 51.10 H new ATOM 0 HA VAL A 35 2.944 -14.026 -15.971 1.00 61.53 H new ATOM 0 HB VAL A 35 2.412 -16.119 -13.822 1.00 32.40 H new ATOM 0 HG11 VAL A 35 4.793 -16.691 -14.067 1.00 40.12 H new ATOM 0 HG12 VAL A 35 3.884 -16.988 -15.568 1.00 40.12 H new ATOM 0 HG13 VAL A 35 4.923 -15.550 -15.427 1.00 40.12 H new ATOM 0 HG21 VAL A 35 4.106 -14.886 -12.527 1.00 62.01 H new ATOM 0 HG22 VAL A 35 4.206 -13.671 -13.823 1.00 62.01 H new ATOM 0 HG23 VAL A 35 2.695 -13.870 -12.905 1.00 62.01 H new ATOM 563 N TRP A 36 0.727 -16.441 -16.214 1.00 41.24 N ATOM 564 CA TRP A 36 0.203 -17.476 -17.096 1.00 31.24 C ATOM 565 C TRP A 36 0.038 -16.949 -18.518 1.00 22.23 C ATOM 566 O TRP A 36 0.211 -17.687 -19.487 1.00 33.40 O ATOM 567 CB TRP A 36 -1.137 -17.992 -16.572 1.00 4.30 C ATOM 568 CG TRP A 36 -1.819 -18.941 -17.511 1.00 31.22 C ATOM 569 CD1 TRP A 36 -1.832 -20.305 -17.432 1.00 73.30 C ATOM 570 CD2 TRP A 36 -2.582 -18.598 -18.672 1.00 44.25 C ATOM 571 NE1 TRP A 36 -2.558 -20.828 -18.474 1.00 24.43 N ATOM 572 CE2 TRP A 36 -3.030 -19.802 -19.248 1.00 30.31 C ATOM 573 CE3 TRP A 36 -2.934 -17.389 -19.280 1.00 1.20 C ATOM 574 CZ2 TRP A 36 -3.809 -19.831 -20.402 1.00 33.45 C ATOM 575 CZ3 TRP A 36 -3.706 -17.420 -20.425 1.00 1.33 C ATOM 576 CH2 TRP A 36 -4.138 -18.634 -20.977 1.00 73.34 C ATOM 0 H TRP A 36 0.149 -16.253 -15.395 1.00 41.24 H new ATOM 0 HA TRP A 36 0.919 -18.298 -17.114 1.00 31.24 H new ATOM 0 HB2 TRP A 36 -0.977 -18.491 -15.616 1.00 4.30 H new ATOM 0 HB3 TRP A 36 -1.795 -17.144 -16.383 1.00 4.30 H new ATOM 0 HD1 TRP A 36 -1.344 -20.886 -16.664 1.00 73.30 H new ATOM 0 HE1 TRP A 36 -2.719 -21.821 -18.644 1.00 24.43 H new ATOM 0 HE3 TRP A 36 -2.608 -16.448 -18.862 1.00 1.20 H new ATOM 0 HZ2 TRP A 36 -4.142 -20.766 -20.828 1.00 33.45 H new ATOM 0 HZ3 TRP A 36 -3.982 -16.492 -20.904 1.00 1.33 H new ATOM 0 HH2 TRP A 36 -4.742 -18.624 -21.873 1.00 73.34 H new ATOM 587 N ALA A 37 -0.299 -15.669 -18.634 1.00 61.52 N ATOM 588 CA ALA A 37 -0.484 -15.043 -19.937 1.00 45.13 C ATOM 589 C ALA A 37 0.854 -14.663 -20.560 1.00 33.43 C ATOM 590 O ALA A 37 1.058 -14.824 -21.764 1.00 72.25 O ATOM 591 CB ALA A 37 -1.377 -13.818 -19.811 1.00 44.42 C ATOM 0 H ALA A 37 -0.449 -15.045 -17.841 1.00 61.52 H new ATOM 0 HA ALA A 37 -0.967 -15.766 -20.594 1.00 45.13 H new ATOM 0 HB1 ALA A 37 -1.507 -13.360 -20.792 1.00 44.42 H new ATOM 0 HB2 ALA A 37 -2.349 -14.115 -19.418 1.00 44.42 H new ATOM 0 HB3 ALA A 37 -0.916 -13.100 -19.133 1.00 44.42 H new ATOM 597 N SER A 38 1.764 -14.158 -19.733 1.00 21.12 N ATOM 598 CA SER A 38 3.083 -13.751 -20.204 1.00 34.12 C ATOM 599 C SER A 38 3.803 -14.916 -20.876 1.00 32.11 C ATOM 600 O SER A 38 4.497 -14.737 -21.877 1.00 31.02 O ATOM 601 CB SER A 38 3.922 -13.220 -19.040 1.00 70.42 C ATOM 602 OG SER A 38 5.273 -13.636 -19.155 1.00 45.15 O ATOM 0 H SER A 38 1.612 -14.021 -18.734 1.00 21.12 H new ATOM 0 HA SER A 38 2.951 -12.957 -20.939 1.00 34.12 H new ATOM 0 HB2 SER A 38 3.874 -12.131 -19.019 1.00 70.42 H new ATOM 0 HB3 SER A 38 3.508 -13.575 -18.097 1.00 70.42 H new ATOM 0 HG SER A 38 5.789 -13.283 -18.401 1.00 45.15 H new ATOM 608 N ARG A 39 3.635 -16.110 -20.317 1.00 5.12 N ATOM 609 CA ARG A 39 4.269 -17.305 -20.860 1.00 1.33 C ATOM 610 C ARG A 39 3.642 -17.693 -22.196 1.00 3.03 C ATOM 611 O ARG A 39 4.291 -18.310 -23.040 1.00 43.51 O ATOM 612 CB ARG A 39 4.149 -18.466 -19.871 1.00 13.41 C ATOM 613 CG ARG A 39 5.433 -18.752 -19.110 1.00 63.42 C ATOM 614 CD ARG A 39 6.240 -19.858 -19.773 1.00 52.51 C ATOM 615 NE ARG A 39 7.615 -19.446 -20.042 1.00 31.43 N ATOM 616 CZ ARG A 39 8.549 -19.346 -19.102 1.00 3.41 C ATOM 617 NH1 ARG A 39 8.256 -19.627 -17.840 1.00 43.13 N ATOM 618 NH2 ARG A 39 9.778 -18.965 -19.425 1.00 72.43 N ATOM 0 H ARG A 39 3.065 -16.275 -19.488 1.00 5.12 H new ATOM 0 HA ARG A 39 5.324 -17.084 -21.024 1.00 1.33 H new ATOM 0 HB2 ARG A 39 3.355 -18.244 -19.158 1.00 13.41 H new ATOM 0 HB3 ARG A 39 3.849 -19.364 -20.412 1.00 13.41 H new ATOM 0 HG2 ARG A 39 6.034 -17.845 -19.055 1.00 63.42 H new ATOM 0 HG3 ARG A 39 5.194 -19.039 -18.086 1.00 63.42 H new ATOM 0 HD2 ARG A 39 6.244 -20.738 -19.130 1.00 52.51 H new ATOM 0 HD3 ARG A 39 5.759 -20.148 -20.707 1.00 52.51 H new ATOM 0 HE ARG A 39 7.872 -19.223 -21.003 1.00 31.43 H new ATOM 0 HH11 ARG A 39 7.312 -19.921 -17.589 1.00 43.13 H new ATOM 0 HH12 ARG A 39 8.975 -19.550 -17.120 1.00 43.13 H new ATOM 0 HH21 ARG A 39 10.006 -18.749 -20.395 1.00 72.43 H new ATOM 0 HH22 ARG A 39 10.494 -18.888 -18.703 1.00 72.43 H new ATOM 632 N GLU A 40 2.376 -17.330 -22.378 1.00 54.33 N ATOM 633 CA GLU A 40 1.662 -17.642 -23.610 1.00 35.01 C ATOM 634 C GLU A 40 1.901 -16.566 -24.666 1.00 65.20 C ATOM 635 O GLU A 40 1.815 -16.828 -25.866 1.00 15.30 O ATOM 636 CB GLU A 40 0.163 -17.780 -23.337 1.00 61.44 C ATOM 637 CG GLU A 40 -0.530 -18.787 -24.239 1.00 30.41 C ATOM 638 CD GLU A 40 -0.926 -20.054 -23.504 1.00 43.33 C ATOM 639 OE1 GLU A 40 -1.761 -19.965 -22.579 1.00 75.12 O ATOM 640 OE2 GLU A 40 -0.401 -21.132 -23.852 1.00 53.52 O ATOM 0 H GLU A 40 1.824 -16.820 -21.688 1.00 54.33 H new ATOM 0 HA GLU A 40 2.043 -18.590 -23.990 1.00 35.01 H new ATOM 0 HB2 GLU A 40 0.017 -18.075 -22.298 1.00 61.44 H new ATOM 0 HB3 GLU A 40 -0.311 -16.807 -23.461 1.00 61.44 H new ATOM 0 HG2 GLU A 40 -1.420 -18.329 -24.672 1.00 30.41 H new ATOM 0 HG3 GLU A 40 0.131 -19.043 -25.067 1.00 30.41 H new ATOM 647 N LEU A 41 2.199 -15.355 -24.209 1.00 62.13 N ATOM 648 CA LEU A 41 2.449 -14.237 -25.112 1.00 13.32 C ATOM 649 C LEU A 41 3.762 -14.429 -25.865 1.00 11.34 C ATOM 650 O LEU A 41 3.814 -14.279 -27.086 1.00 34.34 O ATOM 651 CB LEU A 41 2.485 -12.922 -24.331 1.00 65.21 C ATOM 652 CG LEU A 41 1.169 -12.146 -24.264 1.00 52.30 C ATOM 653 CD1 LEU A 41 1.331 -10.894 -23.416 1.00 23.30 C ATOM 654 CD2 LEU A 41 0.691 -11.786 -25.663 1.00 43.43 C ATOM 0 H LEU A 41 2.273 -15.122 -23.219 1.00 62.13 H new ATOM 0 HA LEU A 41 1.636 -14.200 -25.837 1.00 13.32 H new ATOM 0 HB2 LEU A 41 2.810 -13.136 -23.313 1.00 65.21 H new ATOM 0 HB3 LEU A 41 3.242 -12.277 -24.778 1.00 65.21 H new ATOM 0 HG LEU A 41 0.417 -12.782 -23.797 1.00 52.30 H new ATOM 0 HD11 LEU A 41 0.385 -10.354 -23.379 1.00 23.30 H new ATOM 0 HD12 LEU A 41 1.628 -11.175 -22.405 1.00 23.30 H new ATOM 0 HD13 LEU A 41 2.097 -10.254 -23.854 1.00 23.30 H new ATOM 0 HD21 LEU A 41 -0.247 -11.234 -25.596 1.00 43.43 H new ATOM 0 HD22 LEU A 41 1.441 -11.168 -26.156 1.00 43.43 H new ATOM 0 HD23 LEU A 41 0.535 -12.697 -26.240 1.00 43.43 H new ATOM 666 N GLU A 42 4.817 -14.763 -25.130 1.00 0.11 N ATOM 667 CA GLU A 42 6.129 -14.977 -25.730 1.00 3.44 C ATOM 668 C GLU A 42 6.058 -16.032 -26.830 1.00 33.13 C ATOM 669 O GLU A 42 6.873 -16.038 -27.753 1.00 12.21 O ATOM 670 CB GLU A 42 7.139 -15.404 -24.663 1.00 21.44 C ATOM 671 CG GLU A 42 8.264 -14.404 -24.454 1.00 41.30 C ATOM 672 CD GLU A 42 8.740 -14.354 -23.015 1.00 15.53 C ATOM 673 OE1 GLU A 42 8.391 -15.271 -22.242 1.00 72.34 O ATOM 674 OE2 GLU A 42 9.462 -13.398 -22.663 1.00 0.50 O ATOM 0 H GLU A 42 4.790 -14.891 -24.118 1.00 0.11 H new ATOM 0 HA GLU A 42 6.456 -14.036 -26.173 1.00 3.44 H new ATOM 0 HB2 GLU A 42 6.616 -15.552 -23.718 1.00 21.44 H new ATOM 0 HB3 GLU A 42 7.567 -16.366 -24.944 1.00 21.44 H new ATOM 0 HG2 GLU A 42 9.102 -14.665 -25.101 1.00 41.30 H new ATOM 0 HG3 GLU A 42 7.925 -13.413 -24.755 1.00 41.30 H new ATOM 681 N ARG A 43 5.078 -16.924 -26.724 1.00 33.43 N ATOM 682 CA ARG A 43 4.902 -17.986 -27.708 1.00 31.42 C ATOM 683 C ARG A 43 4.350 -17.428 -29.016 1.00 11.40 C ATOM 684 O ARG A 43 4.575 -17.991 -30.088 1.00 4.03 O ATOM 685 CB ARG A 43 3.963 -19.064 -27.165 1.00 71.32 C ATOM 686 CG ARG A 43 4.673 -20.351 -26.776 1.00 4.42 C ATOM 687 CD ARG A 43 4.909 -21.243 -27.985 1.00 61.22 C ATOM 688 NE ARG A 43 6.316 -21.277 -28.374 1.00 72.23 N ATOM 689 CZ ARG A 43 6.748 -21.781 -29.524 1.00 15.21 C ATOM 690 NH1 ARG A 43 5.887 -22.290 -30.394 1.00 15.51 N ATOM 691 NH2 ARG A 43 8.045 -21.775 -29.807 1.00 40.04 N ATOM 0 H ARG A 43 4.394 -16.932 -25.967 1.00 33.43 H new ATOM 0 HA ARG A 43 5.878 -18.430 -27.905 1.00 31.42 H new ATOM 0 HB2 ARG A 43 3.438 -18.671 -26.294 1.00 71.32 H new ATOM 0 HB3 ARG A 43 3.208 -19.289 -27.918 1.00 71.32 H new ATOM 0 HG2 ARG A 43 5.627 -20.114 -26.305 1.00 4.42 H new ATOM 0 HG3 ARG A 43 4.078 -20.887 -26.037 1.00 4.42 H new ATOM 0 HD2 ARG A 43 4.570 -22.255 -27.761 1.00 61.22 H new ATOM 0 HD3 ARG A 43 4.310 -20.885 -28.822 1.00 61.22 H new ATOM 0 HE ARG A 43 7.005 -20.893 -27.727 1.00 72.23 H new ATOM 0 HH11 ARG A 43 4.890 -22.295 -30.181 1.00 15.51 H new ATOM 0 HH12 ARG A 43 6.222 -22.676 -31.277 1.00 15.51 H new ATOM 0 HH21 ARG A 43 8.711 -21.383 -29.141 1.00 40.04 H new ATOM 0 HH22 ARG A 43 8.376 -22.162 -30.691 1.00 40.04 H new ATOM 705 N PHE A 44 3.626 -16.317 -28.921 1.00 0.33 N ATOM 706 CA PHE A 44 3.040 -15.683 -30.096 1.00 2.32 C ATOM 707 C PHE A 44 3.937 -14.563 -30.614 1.00 54.30 C ATOM 708 O PHE A 44 3.464 -13.613 -31.237 1.00 31.20 O ATOM 709 CB PHE A 44 1.653 -15.130 -29.765 1.00 51.32 C ATOM 710 CG PHE A 44 0.651 -16.192 -29.415 1.00 11.12 C ATOM 711 CD1 PHE A 44 0.273 -17.142 -30.350 1.00 53.22 C ATOM 712 CD2 PHE A 44 0.086 -16.240 -28.151 1.00 61.41 C ATOM 713 CE1 PHE A 44 -0.648 -18.122 -30.031 1.00 40.31 C ATOM 714 CE2 PHE A 44 -0.836 -17.218 -27.825 1.00 75.12 C ATOM 715 CZ PHE A 44 -1.204 -18.158 -28.767 1.00 1.35 C ATOM 0 H PHE A 44 3.431 -15.837 -28.042 1.00 0.33 H new ATOM 0 HA PHE A 44 2.945 -16.438 -30.876 1.00 2.32 H new ATOM 0 HB2 PHE A 44 1.738 -14.433 -28.931 1.00 51.32 H new ATOM 0 HB3 PHE A 44 1.284 -14.561 -30.619 1.00 51.32 H new ATOM 0 HD1 PHE A 44 0.703 -17.116 -31.340 1.00 53.22 H new ATOM 0 HD2 PHE A 44 0.369 -15.505 -27.412 1.00 61.41 H new ATOM 0 HE1 PHE A 44 -0.932 -18.858 -30.768 1.00 40.31 H new ATOM 0 HE2 PHE A 44 -1.267 -17.246 -26.835 1.00 75.12 H new ATOM 0 HZ PHE A 44 -1.926 -18.921 -28.516 1.00 1.35 H new ATOM 725 N ALA A 45 5.234 -14.682 -30.351 1.00 52.11 N ATOM 726 CA ALA A 45 6.198 -13.681 -30.790 1.00 52.30 C ATOM 727 C ALA A 45 5.936 -12.335 -30.123 1.00 0.01 C ATOM 728 O ALA A 45 6.360 -11.292 -30.619 1.00 1.52 O ATOM 729 CB ALA A 45 6.157 -13.538 -32.305 1.00 45.41 C ATOM 0 H ALA A 45 5.642 -15.462 -29.836 1.00 52.11 H new ATOM 0 HA ALA A 45 7.192 -14.016 -30.494 1.00 52.30 H new ATOM 0 HB1 ALA A 45 6.882 -12.787 -32.619 1.00 45.41 H new ATOM 0 HB2 ALA A 45 6.401 -14.494 -32.767 1.00 45.41 H new ATOM 0 HB3 ALA A 45 5.158 -13.230 -32.614 1.00 45.41 H new ATOM 735 N VAL A 46 5.234 -12.366 -28.995 1.00 20.24 N ATOM 736 CA VAL A 46 4.915 -11.149 -28.258 1.00 1.20 C ATOM 737 C VAL A 46 5.522 -11.178 -26.860 1.00 42.42 C ATOM 738 O VAL A 46 5.148 -12.003 -26.027 1.00 43.52 O ATOM 739 CB VAL A 46 3.393 -10.945 -28.142 1.00 24.32 C ATOM 740 CG1 VAL A 46 3.081 -9.694 -27.337 1.00 63.43 C ATOM 741 CG2 VAL A 46 2.758 -10.873 -29.523 1.00 73.54 C ATOM 0 H VAL A 46 4.875 -13.221 -28.571 1.00 20.24 H new ATOM 0 HA VAL A 46 5.343 -10.318 -28.819 1.00 1.20 H new ATOM 0 HB VAL A 46 2.969 -11.801 -27.616 1.00 24.32 H new ATOM 0 HG11 VAL A 46 2.001 -9.567 -27.266 1.00 63.43 H new ATOM 0 HG12 VAL A 46 3.501 -9.791 -26.336 1.00 63.43 H new ATOM 0 HG13 VAL A 46 3.517 -8.825 -27.831 1.00 63.43 H new ATOM 0 HG21 VAL A 46 1.682 -10.729 -29.422 1.00 73.54 H new ATOM 0 HG22 VAL A 46 3.186 -10.037 -30.077 1.00 73.54 H new ATOM 0 HG23 VAL A 46 2.950 -11.801 -30.061 1.00 73.54 H new ATOM 751 N ASN A 47 6.461 -10.272 -26.610 1.00 65.04 N ATOM 752 CA ASN A 47 7.120 -10.193 -25.311 1.00 22.32 C ATOM 753 C ASN A 47 6.116 -9.865 -24.210 1.00 63.11 C ATOM 754 O ASN A 47 5.164 -9.111 -24.409 1.00 44.24 O ATOM 755 CB ASN A 47 8.224 -9.135 -25.340 1.00 74.54 C ATOM 756 CG ASN A 47 9.546 -9.693 -25.834 1.00 44.35 C ATOM 757 OD1 ASN A 47 9.861 -9.613 -27.020 1.00 54.23 O ATOM 758 ND2 ASN A 47 10.325 -10.263 -24.921 1.00 73.04 N ATOM 0 H ASN A 47 6.783 -9.582 -27.289 1.00 65.04 H new ATOM 0 HA ASN A 47 7.563 -11.166 -25.097 1.00 22.32 H new ATOM 0 HB2 ASN A 47 7.917 -8.311 -25.984 1.00 74.54 H new ATOM 0 HB3 ASN A 47 8.357 -8.725 -24.339 1.00 74.54 H new ATOM 0 HD21 ASN A 47 11.226 -10.657 -25.193 1.00 73.04 H new ATOM 0 HD22 ASN A 47 10.022 -10.307 -23.948 1.00 73.04 H new ATOM 765 N PRO A 48 6.332 -10.445 -23.020 1.00 62.23 N ATOM 766 CA PRO A 48 5.458 -10.229 -21.864 1.00 64.34 C ATOM 767 C PRO A 48 5.573 -8.815 -21.305 1.00 54.11 C ATOM 768 O PRO A 48 4.775 -8.401 -20.465 1.00 51.01 O ATOM 769 CB PRO A 48 5.962 -11.251 -20.841 1.00 14.11 C ATOM 770 CG PRO A 48 7.384 -11.489 -21.215 1.00 32.54 C ATOM 771 CD PRO A 48 7.447 -11.357 -22.712 1.00 41.41 C ATOM 0 HA PRO A 48 4.406 -10.347 -22.122 1.00 64.34 H new ATOM 0 HB2 PRO A 48 5.879 -10.868 -19.824 1.00 14.11 H new ATOM 0 HB3 PRO A 48 5.382 -12.173 -20.883 1.00 14.11 H new ATOM 0 HG2 PRO A 48 8.041 -10.766 -20.732 1.00 32.54 H new ATOM 0 HG3 PRO A 48 7.711 -12.479 -20.897 1.00 32.54 H new ATOM 0 HD2 PRO A 48 8.403 -10.948 -23.040 1.00 41.41 H new ATOM 0 HD3 PRO A 48 7.326 -12.321 -23.206 1.00 41.41 H new ATOM 779 N GLY A 49 6.573 -8.077 -21.778 1.00 72.52 N ATOM 780 CA GLY A 49 6.775 -6.717 -21.315 1.00 61.14 C ATOM 781 C GLY A 49 5.661 -5.785 -21.748 1.00 2.51 C ATOM 782 O GLY A 49 5.516 -4.686 -21.211 1.00 40.32 O ATOM 0 H GLY A 49 7.247 -8.397 -22.474 1.00 72.52 H new ATOM 0 HA2 GLY A 49 6.845 -6.714 -20.227 1.00 61.14 H new ATOM 0 HA3 GLY A 49 7.725 -6.344 -21.697 1.00 61.14 H new ATOM 786 N LEU A 50 4.872 -6.223 -22.724 1.00 63.20 N ATOM 787 CA LEU A 50 3.765 -5.420 -23.231 1.00 41.21 C ATOM 788 C LEU A 50 2.588 -5.440 -22.260 1.00 73.12 C ATOM 789 O LEU A 50 1.763 -4.526 -22.251 1.00 44.24 O ATOM 790 CB LEU A 50 3.320 -5.936 -24.600 1.00 21.32 C ATOM 791 CG LEU A 50 4.425 -6.117 -25.641 1.00 55.15 C ATOM 792 CD1 LEU A 50 3.845 -6.610 -26.956 1.00 13.44 C ATOM 793 CD2 LEU A 50 5.182 -4.812 -25.846 1.00 11.11 C ATOM 0 H LEU A 50 4.979 -7.129 -23.179 1.00 63.20 H new ATOM 0 HA LEU A 50 4.111 -4.391 -23.332 1.00 41.21 H new ATOM 0 HB2 LEU A 50 2.820 -6.894 -24.460 1.00 21.32 H new ATOM 0 HB3 LEU A 50 2.579 -5.246 -25.003 1.00 21.32 H new ATOM 0 HG LEU A 50 5.125 -6.867 -25.273 1.00 55.15 H new ATOM 0 HD11 LEU A 50 4.647 -6.733 -27.684 1.00 13.44 H new ATOM 0 HD12 LEU A 50 3.348 -7.567 -26.798 1.00 13.44 H new ATOM 0 HD13 LEU A 50 3.123 -5.884 -27.330 1.00 13.44 H new ATOM 0 HD21 LEU A 50 5.965 -4.959 -26.590 1.00 11.11 H new ATOM 0 HD22 LEU A 50 4.492 -4.042 -26.192 1.00 11.11 H new ATOM 0 HD23 LEU A 50 5.631 -4.500 -24.903 1.00 11.11 H new ATOM 805 N LEU A 51 2.519 -6.486 -21.445 1.00 61.03 N ATOM 806 CA LEU A 51 1.444 -6.624 -20.467 1.00 11.54 C ATOM 807 C LEU A 51 1.510 -5.514 -19.424 1.00 53.05 C ATOM 808 O LEU A 51 0.505 -5.170 -18.805 1.00 5.40 O ATOM 809 CB LEU A 51 1.524 -7.990 -19.782 1.00 55.53 C ATOM 810 CG LEU A 51 1.179 -9.198 -20.652 1.00 24.35 C ATOM 811 CD1 LEU A 51 2.064 -10.382 -20.294 1.00 10.03 C ATOM 812 CD2 LEU A 51 -0.291 -9.562 -20.500 1.00 21.44 C ATOM 0 H LEU A 51 3.194 -7.251 -21.441 1.00 61.03 H new ATOM 0 HA LEU A 51 0.494 -6.544 -20.995 1.00 11.54 H new ATOM 0 HB2 LEU A 51 2.535 -8.122 -19.396 1.00 55.53 H new ATOM 0 HB3 LEU A 51 0.853 -7.983 -18.923 1.00 55.53 H new ATOM 0 HG LEU A 51 1.361 -8.936 -21.694 1.00 24.35 H new ATOM 0 HD11 LEU A 51 1.805 -11.233 -20.923 1.00 10.03 H new ATOM 0 HD12 LEU A 51 3.109 -10.117 -20.455 1.00 10.03 H new ATOM 0 HD13 LEU A 51 1.913 -10.645 -19.247 1.00 10.03 H new ATOM 0 HD21 LEU A 51 -0.519 -10.424 -21.127 1.00 21.44 H new ATOM 0 HD22 LEU A 51 -0.500 -9.805 -19.458 1.00 21.44 H new ATOM 0 HD23 LEU A 51 -0.908 -8.718 -20.806 1.00 21.44 H new ATOM 824 N GLU A 52 2.702 -4.955 -19.237 1.00 43.03 N ATOM 825 CA GLU A 52 2.898 -3.882 -18.269 1.00 72.31 C ATOM 826 C GLU A 52 2.896 -2.520 -18.958 1.00 10.02 C ATOM 827 O GLU A 52 3.470 -1.554 -18.454 1.00 33.11 O ATOM 828 CB GLU A 52 4.214 -4.081 -17.513 1.00 14.10 C ATOM 829 CG GLU A 52 5.445 -3.986 -18.400 1.00 24.44 C ATOM 830 CD GLU A 52 6.710 -3.704 -17.612 1.00 33.23 C ATOM 831 OE1 GLU A 52 7.130 -4.581 -16.829 1.00 3.02 O ATOM 832 OE2 GLU A 52 7.280 -2.606 -17.781 1.00 64.30 O ATOM 0 H GLU A 52 3.545 -5.227 -19.742 1.00 43.03 H new ATOM 0 HA GLU A 52 2.071 -3.912 -17.559 1.00 72.31 H new ATOM 0 HB2 GLU A 52 4.287 -3.333 -16.723 1.00 14.10 H new ATOM 0 HB3 GLU A 52 4.201 -5.057 -17.027 1.00 14.10 H new ATOM 0 HG2 GLU A 52 5.565 -4.919 -18.951 1.00 24.44 H new ATOM 0 HG3 GLU A 52 5.297 -3.197 -19.138 1.00 24.44 H new ATOM 839 N THR A 53 2.246 -2.450 -20.116 1.00 3.25 N ATOM 840 CA THR A 53 2.169 -1.209 -20.876 1.00 62.10 C ATOM 841 C THR A 53 0.751 -0.957 -21.375 1.00 13.23 C ATOM 842 O THR A 53 0.162 -1.800 -22.053 1.00 40.23 O ATOM 843 CB THR A 53 3.129 -1.228 -22.081 1.00 33.40 C ATOM 844 OG1 THR A 53 2.621 -2.096 -23.100 1.00 21.30 O ATOM 845 CG2 THR A 53 4.516 -1.690 -21.659 1.00 15.22 C ATOM 0 H THR A 53 1.765 -3.239 -20.548 1.00 3.25 H new ATOM 0 HA THR A 53 2.462 -0.406 -20.200 1.00 62.10 H new ATOM 0 HB THR A 53 3.204 -0.214 -22.474 1.00 33.40 H new ATOM 0 HG1 THR A 53 2.252 -2.904 -22.687 1.00 21.30 H new ATOM 0 HG21 THR A 53 5.177 -1.696 -22.526 1.00 15.22 H new ATOM 0 HG22 THR A 53 4.912 -1.010 -20.905 1.00 15.22 H new ATOM 0 HG23 THR A 53 4.454 -2.696 -21.244 1.00 15.22 H new ATOM 853 N SER A 54 0.209 0.208 -21.038 1.00 24.10 N ATOM 854 CA SER A 54 -1.143 0.570 -21.449 1.00 10.24 C ATOM 855 C SER A 54 -1.281 0.516 -22.968 1.00 22.24 C ATOM 856 O SER A 54 -2.379 0.344 -23.496 1.00 73.12 O ATOM 857 CB SER A 54 -1.495 1.971 -20.944 1.00 23.42 C ATOM 858 OG SER A 54 -2.857 2.046 -20.558 1.00 33.22 O ATOM 0 H SER A 54 0.685 0.918 -20.481 1.00 24.10 H new ATOM 0 HA SER A 54 -1.834 -0.150 -21.012 1.00 10.24 H new ATOM 0 HB2 SER A 54 -0.859 2.226 -20.096 1.00 23.42 H new ATOM 0 HB3 SER A 54 -1.294 2.704 -21.725 1.00 23.42 H new ATOM 0 HG SER A 54 -2.941 2.611 -19.762 1.00 33.22 H new ATOM 864 N GLU A 55 -0.158 0.663 -23.663 1.00 51.31 N ATOM 865 CA GLU A 55 -0.154 0.632 -25.121 1.00 35.41 C ATOM 866 C GLU A 55 -0.119 -0.805 -25.634 1.00 52.55 C ATOM 867 O GLU A 55 -0.922 -1.192 -26.482 1.00 34.33 O ATOM 868 CB GLU A 55 1.047 1.409 -25.666 1.00 13.24 C ATOM 869 CG GLU A 55 0.944 2.911 -25.463 1.00 65.23 C ATOM 870 CD GLU A 55 1.825 3.408 -24.333 1.00 65.15 C ATOM 871 OE1 GLU A 55 1.572 3.026 -23.171 1.00 25.25 O ATOM 872 OE2 GLU A 55 2.766 4.180 -24.610 1.00 1.12 O ATOM 0 H GLU A 55 0.760 0.805 -23.241 1.00 51.31 H new ATOM 0 HA GLU A 55 -1.072 1.103 -25.472 1.00 35.41 H new ATOM 0 HB2 GLU A 55 1.954 1.047 -25.181 1.00 13.24 H new ATOM 0 HB3 GLU A 55 1.150 1.201 -26.731 1.00 13.24 H new ATOM 0 HG2 GLU A 55 1.223 3.419 -26.386 1.00 65.23 H new ATOM 0 HG3 GLU A 55 -0.093 3.176 -25.254 1.00 65.23 H new ATOM 879 N GLY A 56 0.818 -1.591 -25.114 1.00 43.05 N ATOM 880 CA GLY A 56 0.941 -2.975 -25.531 1.00 24.32 C ATOM 881 C GLY A 56 -0.367 -3.734 -25.416 1.00 71.30 C ATOM 882 O GLY A 56 -0.780 -4.417 -26.354 1.00 40.35 O ATOM 0 H GLY A 56 1.495 -1.294 -24.411 1.00 43.05 H new ATOM 0 HA2 GLY A 56 1.289 -3.011 -26.563 1.00 24.32 H new ATOM 0 HA3 GLY A 56 1.699 -3.469 -24.922 1.00 24.32 H new ATOM 886 N CYS A 57 -1.018 -3.616 -24.264 1.00 40.22 N ATOM 887 CA CYS A 57 -2.286 -4.299 -24.029 1.00 54.14 C ATOM 888 C CYS A 57 -3.276 -4.007 -25.152 1.00 34.04 C ATOM 889 O CYS A 57 -3.933 -4.914 -25.664 1.00 50.01 O ATOM 890 CB CYS A 57 -2.878 -3.869 -22.686 1.00 14.02 C ATOM 891 SG CYS A 57 -2.688 -5.095 -21.370 1.00 12.51 S ATOM 0 H CYS A 57 -0.689 -3.054 -23.479 1.00 40.22 H new ATOM 0 HA CYS A 57 -2.095 -5.372 -24.007 1.00 54.14 H new ATOM 0 HB2 CYS A 57 -2.404 -2.939 -22.373 1.00 14.02 H new ATOM 0 HB3 CYS A 57 -3.939 -3.657 -22.820 1.00 14.02 H new ATOM 0 HG CYS A 57 -3.816 -5.716 -21.189 1.00 12.51 H new ATOM 897 N ARG A 58 -3.378 -2.738 -25.529 1.00 44.43 N ATOM 898 CA ARG A 58 -4.291 -2.326 -26.589 1.00 12.33 C ATOM 899 C ARG A 58 -3.913 -2.981 -27.915 1.00 1.43 C ATOM 900 O ARG A 58 -4.782 -3.325 -28.717 1.00 71.15 O ATOM 901 CB ARG A 58 -4.279 -0.804 -26.739 1.00 43.42 C ATOM 902 CG ARG A 58 -5.525 -0.249 -27.411 1.00 5.22 C ATOM 903 CD ARG A 58 -5.189 0.902 -28.345 1.00 55.01 C ATOM 904 NE ARG A 58 -5.131 2.180 -27.640 1.00 11.23 N ATOM 905 CZ ARG A 58 -4.732 3.314 -28.206 1.00 71.41 C ATOM 906 NH1 ARG A 58 -4.357 3.328 -29.478 1.00 60.34 N ATOM 907 NH2 ARG A 58 -4.706 4.436 -27.498 1.00 41.24 N ATOM 0 H ARG A 58 -2.840 -1.976 -25.116 1.00 44.43 H new ATOM 0 HA ARG A 58 -5.295 -2.649 -26.316 1.00 12.33 H new ATOM 0 HB2 ARG A 58 -4.176 -0.351 -25.753 1.00 43.42 H new ATOM 0 HB3 ARG A 58 -3.403 -0.511 -27.318 1.00 43.42 H new ATOM 0 HG2 ARG A 58 -6.020 -1.041 -27.972 1.00 5.22 H new ATOM 0 HG3 ARG A 58 -6.228 0.091 -26.651 1.00 5.22 H new ATOM 0 HD2 ARG A 58 -4.230 0.710 -28.827 1.00 55.01 H new ATOM 0 HD3 ARG A 58 -5.937 0.958 -29.135 1.00 55.01 H new ATOM 0 HE ARG A 58 -5.412 2.203 -26.660 1.00 11.23 H new ATOM 0 HH11 ARG A 58 -4.374 2.467 -30.024 1.00 60.34 H new ATOM 0 HH12 ARG A 58 -4.051 4.200 -29.910 1.00 60.34 H new ATOM 0 HH21 ARG A 58 -4.992 4.428 -26.519 1.00 41.24 H new ATOM 0 HH22 ARG A 58 -4.400 5.306 -27.933 1.00 41.24 H new ATOM 921 N GLN A 59 -2.614 -3.150 -28.138 1.00 44.55 N ATOM 922 CA GLN A 59 -2.123 -3.762 -29.367 1.00 50.21 C ATOM 923 C GLN A 59 -2.405 -5.261 -29.378 1.00 52.23 C ATOM 924 O GLN A 59 -2.897 -5.801 -30.368 1.00 22.24 O ATOM 925 CB GLN A 59 -0.622 -3.512 -29.522 1.00 54.44 C ATOM 926 CG GLN A 59 -0.094 -3.822 -30.913 1.00 0.13 C ATOM 927 CD GLN A 59 1.308 -4.398 -30.890 1.00 70.32 C ATOM 928 OE1 GLN A 59 1.701 -5.067 -29.934 1.00 21.31 O ATOM 929 NE2 GLN A 59 2.072 -4.139 -31.944 1.00 15.12 N ATOM 0 H GLN A 59 -1.883 -2.872 -27.484 1.00 44.55 H new ATOM 0 HA GLN A 59 -2.648 -3.306 -30.206 1.00 50.21 H new ATOM 0 HB2 GLN A 59 -0.410 -2.469 -29.286 1.00 54.44 H new ATOM 0 HB3 GLN A 59 -0.084 -4.120 -28.794 1.00 54.44 H new ATOM 0 HG2 GLN A 59 -0.765 -4.528 -31.403 1.00 0.13 H new ATOM 0 HG3 GLN A 59 -0.098 -2.910 -31.511 1.00 0.13 H new ATOM 0 HE21 GLN A 59 1.706 -3.580 -32.714 1.00 15.12 H new ATOM 0 HE22 GLN A 59 3.026 -4.499 -31.984 1.00 15.12 H new ATOM 938 N ILE A 60 -2.088 -5.925 -28.272 1.00 73.30 N ATOM 939 CA ILE A 60 -2.308 -7.362 -28.156 1.00 75.31 C ATOM 940 C ILE A 60 -3.772 -7.714 -28.391 1.00 20.32 C ATOM 941 O ILE A 60 -4.086 -8.657 -29.120 1.00 61.12 O ATOM 942 CB ILE A 60 -1.880 -7.886 -26.772 1.00 33.31 C ATOM 943 CG1 ILE A 60 -0.404 -7.576 -26.519 1.00 35.44 C ATOM 944 CG2 ILE A 60 -2.139 -9.382 -26.670 1.00 34.22 C ATOM 945 CD1 ILE A 60 -0.012 -7.651 -25.060 1.00 75.23 C ATOM 0 H ILE A 60 -1.679 -5.492 -27.444 1.00 73.30 H new ATOM 0 HA ILE A 60 -1.696 -7.839 -28.921 1.00 75.31 H new ATOM 0 HB ILE A 60 -2.473 -7.381 -26.009 1.00 33.31 H new ATOM 0 HG12 ILE A 60 0.208 -8.276 -27.088 1.00 35.44 H new ATOM 0 HG13 ILE A 60 -0.181 -6.578 -26.896 1.00 35.44 H new ATOM 0 HG21 ILE A 60 -1.832 -9.738 -25.687 1.00 34.22 H new ATOM 0 HG22 ILE A 60 -3.202 -9.578 -26.811 1.00 34.22 H new ATOM 0 HG23 ILE A 60 -1.569 -9.903 -27.439 1.00 34.22 H new ATOM 0 HD11 ILE A 60 1.048 -7.420 -24.956 1.00 75.23 H new ATOM 0 HD12 ILE A 60 -0.598 -6.932 -24.488 1.00 75.23 H new ATOM 0 HD13 ILE A 60 -0.203 -8.656 -24.683 1.00 75.23 H new ATOM 957 N LEU A 61 -4.666 -6.952 -27.770 1.00 73.14 N ATOM 958 CA LEU A 61 -6.099 -7.182 -27.912 1.00 14.11 C ATOM 959 C LEU A 61 -6.542 -6.976 -29.357 1.00 11.54 C ATOM 960 O LEU A 61 -7.538 -7.548 -29.799 1.00 31.54 O ATOM 961 CB LEU A 61 -6.880 -6.246 -26.989 1.00 74.12 C ATOM 962 CG LEU A 61 -6.589 -6.382 -25.494 1.00 73.43 C ATOM 963 CD1 LEU A 61 -6.849 -5.066 -24.777 1.00 2.12 C ATOM 964 CD2 LEU A 61 -7.426 -7.497 -24.885 1.00 4.53 C ATOM 0 H LEU A 61 -4.423 -6.169 -27.163 1.00 73.14 H new ATOM 0 HA LEU A 61 -6.306 -8.215 -27.631 1.00 14.11 H new ATOM 0 HB2 LEU A 61 -6.673 -5.218 -27.287 1.00 74.12 H new ATOM 0 HB3 LEU A 61 -7.945 -6.416 -27.149 1.00 74.12 H new ATOM 0 HG LEU A 61 -5.536 -6.638 -25.372 1.00 73.43 H new ATOM 0 HD11 LEU A 61 -6.636 -5.182 -23.714 1.00 2.12 H new ATOM 0 HD12 LEU A 61 -6.205 -4.291 -25.193 1.00 2.12 H new ATOM 0 HD13 LEU A 61 -7.892 -4.780 -24.909 1.00 2.12 H new ATOM 0 HD21 LEU A 61 -7.205 -7.578 -23.821 1.00 4.53 H new ATOM 0 HD22 LEU A 61 -8.484 -7.273 -25.020 1.00 4.53 H new ATOM 0 HD23 LEU A 61 -7.190 -8.440 -25.378 1.00 4.53 H new ATOM 976 N GLY A 62 -5.795 -6.155 -30.089 1.00 31.53 N ATOM 977 CA GLY A 62 -6.126 -5.890 -31.477 1.00 32.42 C ATOM 978 C GLY A 62 -5.975 -7.118 -32.354 1.00 54.50 C ATOM 979 O GLY A 62 -6.645 -7.242 -33.379 1.00 62.13 O ATOM 0 H GLY A 62 -4.967 -5.669 -29.746 1.00 31.53 H new ATOM 0 HA2 GLY A 62 -7.152 -5.526 -31.540 1.00 32.42 H new ATOM 0 HA3 GLY A 62 -5.483 -5.096 -31.855 1.00 32.42 H new ATOM 983 N GLN A 63 -5.092 -8.026 -31.952 1.00 52.05 N ATOM 984 CA GLN A 63 -4.853 -9.248 -32.711 1.00 41.13 C ATOM 985 C GLN A 63 -5.770 -10.370 -32.236 1.00 63.21 C ATOM 986 O GLN A 63 -6.295 -11.140 -33.041 1.00 3.25 O ATOM 987 CB GLN A 63 -3.391 -9.677 -32.581 1.00 4.00 C ATOM 988 CG GLN A 63 -2.534 -9.287 -33.774 1.00 23.43 C ATOM 989 CD GLN A 63 -1.309 -8.488 -33.376 1.00 23.32 C ATOM 990 OE1 GLN A 63 -0.411 -8.999 -32.706 1.00 62.50 O ATOM 991 NE2 GLN A 63 -1.265 -7.227 -33.788 1.00 0.24 N ATOM 0 H GLN A 63 -4.530 -7.939 -31.105 1.00 52.05 H new ATOM 0 HA GLN A 63 -5.071 -9.044 -33.759 1.00 41.13 H new ATOM 0 HB2 GLN A 63 -2.969 -9.232 -31.680 1.00 4.00 H new ATOM 0 HB3 GLN A 63 -3.349 -10.758 -32.452 1.00 4.00 H new ATOM 0 HG2 GLN A 63 -2.220 -10.188 -34.301 1.00 23.43 H new ATOM 0 HG3 GLN A 63 -3.134 -8.702 -34.472 1.00 23.43 H new ATOM 0 HE21 GLN A 63 -2.032 -6.844 -34.341 1.00 0.24 H new ATOM 0 HE22 GLN A 63 -0.465 -6.641 -33.551 1.00 0.24 H new ATOM 1000 N LEU A 64 -5.958 -10.459 -30.923 1.00 14.35 N ATOM 1001 CA LEU A 64 -6.811 -11.488 -30.341 1.00 71.41 C ATOM 1002 C LEU A 64 -8.284 -11.179 -30.587 1.00 12.23 C ATOM 1003 O LEU A 64 -9.120 -12.082 -30.622 1.00 70.31 O ATOM 1004 CB LEU A 64 -6.548 -11.605 -28.838 1.00 4.02 C ATOM 1005 CG LEU A 64 -5.096 -11.854 -28.428 1.00 12.25 C ATOM 1006 CD1 LEU A 64 -4.993 -12.056 -26.924 1.00 61.01 C ATOM 1007 CD2 LEU A 64 -4.532 -13.058 -29.169 1.00 34.42 C ATOM 0 H LEU A 64 -5.531 -9.831 -30.242 1.00 14.35 H new ATOM 0 HA LEU A 64 -6.573 -12.437 -30.822 1.00 71.41 H new ATOM 0 HB2 LEU A 64 -6.888 -10.688 -28.357 1.00 4.02 H new ATOM 0 HB3 LEU A 64 -7.160 -12.417 -28.444 1.00 4.02 H new ATOM 0 HG LEU A 64 -4.507 -10.977 -28.697 1.00 12.25 H new ATOM 0 HD11 LEU A 64 -3.953 -12.232 -26.651 1.00 61.01 H new ATOM 0 HD12 LEU A 64 -5.357 -11.166 -26.412 1.00 61.01 H new ATOM 0 HD13 LEU A 64 -5.595 -12.916 -26.630 1.00 61.01 H new ATOM 0 HD21 LEU A 64 -3.498 -13.221 -28.865 1.00 34.42 H new ATOM 0 HD22 LEU A 64 -5.124 -13.942 -28.931 1.00 34.42 H new ATOM 0 HD23 LEU A 64 -4.570 -12.875 -30.243 1.00 34.42 H new ATOM 1019 N GLN A 65 -8.593 -9.898 -30.761 1.00 4.44 N ATOM 1020 CA GLN A 65 -9.966 -9.471 -31.008 1.00 23.22 C ATOM 1021 C GLN A 65 -10.582 -10.256 -32.161 1.00 25.14 C ATOM 1022 O GLN A 65 -11.571 -10.971 -31.999 1.00 61.45 O ATOM 1023 CB GLN A 65 -10.009 -7.973 -31.315 1.00 73.12 C ATOM 1024 CG GLN A 65 -10.497 -7.127 -30.150 1.00 54.43 C ATOM 1025 CD GLN A 65 -10.400 -5.639 -30.428 1.00 31.25 C ATOM 1026 OE1 GLN A 65 -9.518 -4.956 -29.908 1.00 34.01 O ATOM 1027 NE2 GLN A 65 -11.308 -5.130 -31.253 1.00 23.44 N ATOM 0 H GLN A 65 -7.913 -9.139 -30.736 1.00 4.44 H new ATOM 0 HA GLN A 65 -10.548 -9.667 -30.108 1.00 23.22 H new ATOM 0 HB2 GLN A 65 -9.011 -7.641 -31.602 1.00 73.12 H new ATOM 0 HB3 GLN A 65 -10.660 -7.805 -32.173 1.00 73.12 H new ATOM 0 HG2 GLN A 65 -11.533 -7.384 -29.928 1.00 54.43 H new ATOM 0 HG3 GLN A 65 -9.912 -7.366 -29.262 1.00 54.43 H new ATOM 0 HE21 GLN A 65 -12.021 -5.734 -31.661 1.00 23.44 H new ATOM 0 HE22 GLN A 65 -11.292 -4.135 -31.478 1.00 23.44 H new ATOM 1036 N PRO A 66 -9.986 -10.121 -33.354 1.00 31.45 N ATOM 1037 CA PRO A 66 -10.458 -10.812 -34.558 1.00 4.31 C ATOM 1038 C PRO A 66 -10.218 -12.316 -34.497 1.00 75.31 C ATOM 1039 O PRO A 66 -10.811 -13.081 -35.258 1.00 34.21 O ATOM 1040 CB PRO A 66 -9.627 -10.181 -35.678 1.00 12.15 C ATOM 1041 CG PRO A 66 -8.387 -9.701 -35.005 1.00 11.25 C ATOM 1042 CD PRO A 66 -8.802 -9.287 -33.621 1.00 61.01 C ATOM 0 HA PRO A 66 -11.534 -10.703 -34.694 1.00 4.31 H new ATOM 0 HB2 PRO A 66 -9.398 -10.907 -36.458 1.00 12.15 H new ATOM 0 HB3 PRO A 66 -10.163 -9.360 -36.154 1.00 12.15 H new ATOM 0 HG2 PRO A 66 -7.634 -10.488 -34.968 1.00 11.25 H new ATOM 0 HG3 PRO A 66 -7.947 -8.864 -35.548 1.00 11.25 H new ATOM 0 HD2 PRO A 66 -8.011 -9.468 -32.893 1.00 61.01 H new ATOM 0 HD3 PRO A 66 -9.041 -8.224 -33.574 1.00 61.01 H new ATOM 1050 N SER A 67 -9.343 -12.734 -33.587 1.00 0.03 N ATOM 1051 CA SER A 67 -9.021 -14.148 -33.429 1.00 50.10 C ATOM 1052 C SER A 67 -9.725 -14.732 -32.208 1.00 11.03 C ATOM 1053 O SER A 67 -9.256 -15.702 -31.611 1.00 30.51 O ATOM 1054 CB SER A 67 -7.509 -14.336 -33.299 1.00 22.41 C ATOM 1055 OG SER A 67 -7.138 -15.679 -33.559 1.00 64.50 O ATOM 0 H SER A 67 -8.845 -12.114 -32.948 1.00 0.03 H new ATOM 0 HA SER A 67 -9.371 -14.677 -34.316 1.00 50.10 H new ATOM 0 HB2 SER A 67 -6.996 -13.672 -33.995 1.00 22.41 H new ATOM 0 HB3 SER A 67 -7.189 -14.055 -32.296 1.00 22.41 H new ATOM 0 HG SER A 67 -7.769 -16.284 -33.116 1.00 64.50 H new ATOM 1061 N LEU A 68 -10.854 -14.135 -31.841 1.00 54.34 N ATOM 1062 CA LEU A 68 -11.624 -14.594 -30.690 1.00 33.25 C ATOM 1063 C LEU A 68 -12.488 -15.797 -31.059 1.00 75.23 C ATOM 1064 O LEU A 68 -12.780 -16.644 -30.216 1.00 41.12 O ATOM 1065 CB LEU A 68 -12.504 -13.463 -30.156 1.00 1.23 C ATOM 1066 CG LEU A 68 -11.933 -12.666 -28.983 1.00 11.43 C ATOM 1067 CD1 LEU A 68 -12.765 -11.417 -28.732 1.00 21.24 C ATOM 1068 CD2 LEU A 68 -11.871 -13.529 -27.732 1.00 62.14 C ATOM 0 H LEU A 68 -11.257 -13.332 -32.324 1.00 54.34 H new ATOM 0 HA LEU A 68 -10.924 -14.898 -29.912 1.00 33.25 H new ATOM 0 HB2 LEU A 68 -12.709 -12.772 -30.974 1.00 1.23 H new ATOM 0 HB3 LEU A 68 -13.460 -13.887 -29.850 1.00 1.23 H new ATOM 0 HG LEU A 68 -10.919 -12.357 -29.237 1.00 11.43 H new ATOM 0 HD11 LEU A 68 -12.344 -10.862 -27.894 1.00 21.24 H new ATOM 0 HD12 LEU A 68 -12.757 -10.789 -29.623 1.00 21.24 H new ATOM 0 HD13 LEU A 68 -13.790 -11.704 -28.499 1.00 21.24 H new ATOM 0 HD21 LEU A 68 -11.462 -12.945 -26.907 1.00 62.14 H new ATOM 0 HD22 LEU A 68 -12.874 -13.868 -27.474 1.00 62.14 H new ATOM 0 HD23 LEU A 68 -11.232 -14.393 -27.917 1.00 62.14 H new ATOM 1080 N GLN A 69 -12.892 -15.863 -32.324 1.00 74.42 N ATOM 1081 CA GLN A 69 -13.721 -16.962 -32.803 1.00 34.25 C ATOM 1082 C GLN A 69 -12.858 -18.124 -33.286 1.00 42.13 C ATOM 1083 O GLN A 69 -13.079 -19.275 -32.906 1.00 32.03 O ATOM 1084 CB GLN A 69 -14.633 -16.484 -33.935 1.00 34.33 C ATOM 1085 CG GLN A 69 -15.593 -17.552 -34.434 1.00 71.24 C ATOM 1086 CD GLN A 69 -15.703 -17.578 -35.945 1.00 4.21 C ATOM 1087 OE1 GLN A 69 -16.607 -16.973 -36.524 1.00 60.41 O ATOM 1088 NE2 GLN A 69 -14.782 -18.279 -36.595 1.00 33.53 N ATOM 0 H GLN A 69 -12.659 -15.169 -33.034 1.00 74.42 H new ATOM 0 HA GLN A 69 -14.335 -17.310 -31.973 1.00 34.25 H new ATOM 0 HB2 GLN A 69 -15.207 -15.624 -33.590 1.00 34.33 H new ATOM 0 HB3 GLN A 69 -14.017 -16.143 -34.767 1.00 34.33 H new ATOM 0 HG2 GLN A 69 -15.260 -18.528 -34.081 1.00 71.24 H new ATOM 0 HG3 GLN A 69 -16.580 -17.377 -34.005 1.00 71.24 H new ATOM 0 HE21 GLN A 69 -14.051 -18.765 -36.076 1.00 33.53 H new ATOM 0 HE22 GLN A 69 -14.806 -18.332 -37.613 1.00 33.53 H new ATOM 1097 N THR A 70 -11.875 -17.817 -34.126 1.00 43.33 N ATOM 1098 CA THR A 70 -10.981 -18.835 -34.661 1.00 33.42 C ATOM 1099 C THR A 70 -9.983 -19.300 -33.606 1.00 41.12 C ATOM 1100 O THR A 70 -9.525 -20.441 -33.632 1.00 22.43 O ATOM 1101 CB THR A 70 -10.208 -18.315 -35.888 1.00 1.34 C ATOM 1102 OG1 THR A 70 -10.180 -16.884 -35.879 1.00 64.13 O ATOM 1103 CG2 THR A 70 -10.848 -18.807 -37.178 1.00 74.33 C ATOM 0 H THR A 70 -11.678 -16.870 -34.451 1.00 43.33 H new ATOM 0 HA THR A 70 -11.605 -19.676 -34.963 1.00 33.42 H new ATOM 0 HB THR A 70 -9.189 -18.698 -35.837 1.00 1.34 H new ATOM 0 HG1 THR A 70 -9.685 -16.562 -36.661 1.00 64.13 H new ATOM 0 HG21 THR A 70 -10.285 -18.427 -38.031 1.00 74.33 H new ATOM 0 HG22 THR A 70 -10.841 -19.897 -37.195 1.00 74.33 H new ATOM 0 HG23 THR A 70 -11.876 -18.450 -37.233 1.00 74.33 H new ATOM 1111 N GLY A 71 -9.650 -18.408 -32.679 1.00 65.11 N ATOM 1112 CA GLY A 71 -8.709 -18.746 -31.627 1.00 1.12 C ATOM 1113 C GLY A 71 -9.168 -19.928 -30.796 1.00 4.15 C ATOM 1114 O GLY A 71 -10.344 -20.293 -30.820 1.00 71.10 O ATOM 0 H GLY A 71 -10.015 -17.457 -32.637 1.00 65.11 H new ATOM 0 HA2 GLY A 71 -7.739 -18.972 -32.070 1.00 1.12 H new ATOM 0 HA3 GLY A 71 -8.569 -17.882 -30.978 1.00 1.12 H new ATOM 1118 N SER A 72 -8.239 -20.530 -30.060 1.00 52.34 N ATOM 1119 CA SER A 72 -8.553 -21.681 -29.223 1.00 43.43 C ATOM 1120 C SER A 72 -8.761 -21.256 -27.772 1.00 11.21 C ATOM 1121 O SER A 72 -8.763 -20.067 -27.456 1.00 10.45 O ATOM 1122 CB SER A 72 -7.434 -22.720 -29.306 1.00 13.14 C ATOM 1123 OG SER A 72 -6.434 -22.472 -28.333 1.00 10.22 O ATOM 0 H SER A 72 -7.262 -20.239 -30.027 1.00 52.34 H new ATOM 0 HA SER A 72 -9.478 -22.125 -29.591 1.00 43.43 H new ATOM 0 HB2 SER A 72 -7.848 -23.718 -29.160 1.00 13.14 H new ATOM 0 HB3 SER A 72 -6.990 -22.702 -30.301 1.00 13.14 H new ATOM 0 HG SER A 72 -5.731 -23.151 -28.406 1.00 10.22 H new ATOM 1129 N GLU A 73 -8.935 -22.239 -26.894 1.00 44.41 N ATOM 1130 CA GLU A 73 -9.146 -21.967 -25.476 1.00 12.14 C ATOM 1131 C GLU A 73 -8.034 -21.081 -24.922 1.00 63.14 C ATOM 1132 O GLU A 73 -8.246 -20.317 -23.980 1.00 4.24 O ATOM 1133 CB GLU A 73 -9.211 -23.277 -24.688 1.00 73.14 C ATOM 1134 CG GLU A 73 -7.986 -24.159 -24.870 1.00 4.43 C ATOM 1135 CD GLU A 73 -8.342 -25.625 -25.025 1.00 11.32 C ATOM 1136 OE1 GLU A 73 -8.421 -26.328 -23.997 1.00 33.41 O ATOM 1137 OE2 GLU A 73 -8.543 -26.068 -26.175 1.00 35.14 O ATOM 0 H GLU A 73 -8.934 -23.229 -27.139 1.00 44.41 H new ATOM 0 HA GLU A 73 -10.094 -21.440 -25.369 1.00 12.14 H new ATOM 0 HB2 GLU A 73 -9.330 -23.048 -23.629 1.00 73.14 H new ATOM 0 HB3 GLU A 73 -10.097 -23.832 -24.995 1.00 73.14 H new ATOM 0 HG2 GLU A 73 -7.432 -23.828 -25.749 1.00 4.43 H new ATOM 0 HG3 GLU A 73 -7.325 -24.038 -24.012 1.00 4.43 H new ATOM 1144 N GLU A 74 -6.848 -21.190 -25.513 1.00 23.54 N ATOM 1145 CA GLU A 74 -5.702 -20.400 -25.076 1.00 31.04 C ATOM 1146 C GLU A 74 -5.929 -18.917 -25.350 1.00 41.42 C ATOM 1147 O GLU A 74 -5.830 -18.084 -24.447 1.00 72.41 O ATOM 1148 CB GLU A 74 -4.431 -20.872 -25.785 1.00 71.45 C ATOM 1149 CG GLU A 74 -3.448 -21.576 -24.864 1.00 21.54 C ATOM 1150 CD GLU A 74 -3.615 -23.083 -24.876 1.00 2.12 C ATOM 1151 OE1 GLU A 74 -3.907 -23.638 -25.957 1.00 64.01 O ATOM 1152 OE2 GLU A 74 -3.453 -23.707 -23.807 1.00 24.14 O ATOM 0 H GLU A 74 -6.656 -21.817 -26.294 1.00 23.54 H new ATOM 0 HA GLU A 74 -5.584 -20.540 -24.001 1.00 31.04 H new ATOM 0 HB2 GLU A 74 -4.706 -21.548 -26.595 1.00 71.45 H new ATOM 0 HB3 GLU A 74 -3.938 -20.013 -26.241 1.00 71.45 H new ATOM 0 HG2 GLU A 74 -2.431 -21.324 -25.164 1.00 21.54 H new ATOM 0 HG3 GLU A 74 -3.581 -21.207 -23.847 1.00 21.54 H new ATOM 1159 N LEU A 75 -6.233 -18.591 -26.602 1.00 4.12 N ATOM 1160 CA LEU A 75 -6.475 -17.207 -26.996 1.00 23.43 C ATOM 1161 C LEU A 75 -7.593 -16.591 -26.162 1.00 41.54 C ATOM 1162 O LEU A 75 -7.501 -15.438 -25.739 1.00 45.43 O ATOM 1163 CB LEU A 75 -6.831 -17.134 -28.482 1.00 32.33 C ATOM 1164 CG LEU A 75 -6.620 -15.779 -29.157 1.00 12.21 C ATOM 1165 CD1 LEU A 75 -6.160 -15.964 -30.595 1.00 72.53 C ATOM 1166 CD2 LEU A 75 -7.898 -14.954 -29.107 1.00 71.53 C ATOM 0 H LEU A 75 -6.318 -19.266 -27.362 1.00 4.12 H new ATOM 0 HA LEU A 75 -5.561 -16.640 -26.820 1.00 23.43 H new ATOM 0 HB2 LEU A 75 -6.239 -17.878 -29.014 1.00 32.33 H new ATOM 0 HB3 LEU A 75 -7.877 -17.416 -28.599 1.00 32.33 H new ATOM 0 HG LEU A 75 -5.842 -15.242 -28.614 1.00 12.21 H new ATOM 0 HD11 LEU A 75 -6.015 -14.988 -31.059 1.00 72.53 H new ATOM 0 HD12 LEU A 75 -5.220 -16.515 -30.608 1.00 72.53 H new ATOM 0 HD13 LEU A 75 -6.915 -16.521 -31.150 1.00 72.53 H new ATOM 0 HD21 LEU A 75 -7.730 -13.993 -29.592 1.00 71.53 H new ATOM 0 HD22 LEU A 75 -8.696 -15.487 -29.625 1.00 71.53 H new ATOM 0 HD23 LEU A 75 -8.185 -14.791 -28.068 1.00 71.53 H new ATOM 1178 N ARG A 76 -8.647 -17.367 -25.929 1.00 74.14 N ATOM 1179 CA ARG A 76 -9.782 -16.896 -25.145 1.00 23.35 C ATOM 1180 C ARG A 76 -9.331 -16.415 -23.768 1.00 12.15 C ATOM 1181 O ARG A 76 -9.646 -15.298 -23.357 1.00 21.54 O ATOM 1182 CB ARG A 76 -10.820 -18.009 -24.993 1.00 24.54 C ATOM 1183 CG ARG A 76 -12.256 -17.513 -25.023 1.00 53.24 C ATOM 1184 CD ARG A 76 -13.215 -18.607 -25.467 1.00 51.25 C ATOM 1185 NE ARG A 76 -13.303 -19.688 -24.489 1.00 11.20 N ATOM 1186 CZ ARG A 76 -14.076 -20.756 -24.642 1.00 12.32 C ATOM 1187 NH1 ARG A 76 -14.825 -20.886 -25.729 1.00 21.42 N ATOM 1188 NH2 ARG A 76 -14.102 -21.698 -23.708 1.00 22.12 N ATOM 0 H ARG A 76 -8.738 -18.323 -26.272 1.00 74.14 H new ATOM 0 HA ARG A 76 -10.233 -16.056 -25.674 1.00 23.35 H new ATOM 0 HB2 ARG A 76 -10.679 -18.736 -25.792 1.00 24.54 H new ATOM 0 HB3 ARG A 76 -10.645 -18.531 -24.052 1.00 24.54 H new ATOM 0 HG2 ARG A 76 -12.540 -17.159 -24.032 1.00 53.24 H new ATOM 0 HG3 ARG A 76 -12.334 -16.662 -25.700 1.00 53.24 H new ATOM 0 HD2 ARG A 76 -14.205 -18.179 -25.624 1.00 51.25 H new ATOM 0 HD3 ARG A 76 -12.886 -19.011 -26.425 1.00 51.25 H new ATOM 0 HE ARG A 76 -12.739 -19.618 -23.642 1.00 11.20 H new ATOM 0 HH11 ARG A 76 -14.808 -20.164 -26.450 1.00 21.42 H new ATOM 0 HH12 ARG A 76 -15.418 -21.708 -25.844 1.00 21.42 H new ATOM 0 HH21 ARG A 76 -13.527 -21.602 -22.871 1.00 22.12 H new ATOM 0 HH22 ARG A 76 -14.697 -22.518 -23.827 1.00 22.12 H new ATOM 1202 N SER A 77 -8.594 -17.266 -23.062 1.00 34.44 N ATOM 1203 CA SER A 77 -8.103 -16.930 -21.731 1.00 75.33 C ATOM 1204 C SER A 77 -7.252 -15.664 -21.769 1.00 11.13 C ATOM 1205 O SER A 77 -7.341 -14.815 -20.882 1.00 70.10 O ATOM 1206 CB SER A 77 -7.286 -18.090 -21.157 1.00 4.53 C ATOM 1207 OG SER A 77 -8.109 -18.976 -20.420 1.00 24.12 O ATOM 0 H SER A 77 -8.324 -18.193 -23.390 1.00 34.44 H new ATOM 0 HA SER A 77 -8.965 -16.749 -21.088 1.00 75.33 H new ATOM 0 HB2 SER A 77 -6.798 -18.631 -21.967 1.00 4.53 H new ATOM 0 HB3 SER A 77 -6.497 -17.700 -20.513 1.00 4.53 H new ATOM 0 HG SER A 77 -7.564 -19.709 -20.065 1.00 24.12 H new ATOM 1213 N LEU A 78 -6.427 -15.545 -22.803 1.00 75.11 N ATOM 1214 CA LEU A 78 -5.559 -14.383 -22.960 1.00 64.11 C ATOM 1215 C LEU A 78 -6.373 -13.093 -22.980 1.00 21.44 C ATOM 1216 O LEU A 78 -6.151 -12.194 -22.169 1.00 44.22 O ATOM 1217 CB LEU A 78 -4.740 -14.502 -24.245 1.00 12.23 C ATOM 1218 CG LEU A 78 -3.275 -14.906 -24.073 1.00 54.24 C ATOM 1219 CD1 LEU A 78 -2.552 -13.917 -23.172 1.00 34.53 C ATOM 1220 CD2 LEU A 78 -3.173 -16.316 -23.512 1.00 22.20 C ATOM 0 H LEU A 78 -6.341 -16.239 -23.546 1.00 75.11 H new ATOM 0 HA LEU A 78 -4.881 -14.350 -22.107 1.00 64.11 H new ATOM 0 HB2 LEU A 78 -5.224 -15.232 -24.894 1.00 12.23 H new ATOM 0 HB3 LEU A 78 -4.773 -13.544 -24.763 1.00 12.23 H new ATOM 0 HG LEU A 78 -2.796 -14.892 -25.052 1.00 54.24 H new ATOM 0 HD11 LEU A 78 -1.511 -14.220 -23.061 1.00 34.53 H new ATOM 0 HD12 LEU A 78 -2.595 -12.922 -23.615 1.00 34.53 H new ATOM 0 HD13 LEU A 78 -3.031 -13.899 -22.193 1.00 34.53 H new ATOM 0 HD21 LEU A 78 -2.123 -16.587 -23.396 1.00 22.20 H new ATOM 0 HD22 LEU A 78 -3.668 -16.358 -22.542 1.00 22.20 H new ATOM 0 HD23 LEU A 78 -3.655 -17.015 -24.195 1.00 22.20 H new ATOM 1232 N TYR A 79 -7.317 -13.011 -23.911 1.00 63.01 N ATOM 1233 CA TYR A 79 -8.166 -11.832 -24.037 1.00 13.11 C ATOM 1234 C TYR A 79 -8.804 -11.474 -22.698 1.00 0.51 C ATOM 1235 O TYR A 79 -9.078 -10.307 -22.421 1.00 73.22 O ATOM 1236 CB TYR A 79 -9.253 -12.069 -25.086 1.00 34.21 C ATOM 1237 CG TYR A 79 -9.796 -10.796 -25.695 1.00 62.22 C ATOM 1238 CD1 TYR A 79 -8.998 -9.990 -26.496 1.00 75.33 C ATOM 1239 CD2 TYR A 79 -11.108 -10.399 -25.466 1.00 13.44 C ATOM 1240 CE1 TYR A 79 -9.489 -8.825 -27.053 1.00 63.23 C ATOM 1241 CE2 TYR A 79 -11.609 -9.236 -26.020 1.00 20.11 C ATOM 1242 CZ TYR A 79 -10.796 -8.453 -26.812 1.00 0.22 C ATOM 1243 OH TYR A 79 -11.291 -7.294 -27.365 1.00 33.12 O ATOM 0 H TYR A 79 -7.514 -13.747 -24.589 1.00 63.01 H new ATOM 0 HA TYR A 79 -7.540 -10.998 -24.355 1.00 13.11 H new ATOM 0 HB2 TYR A 79 -8.849 -12.698 -25.880 1.00 34.21 H new ATOM 0 HB3 TYR A 79 -10.074 -12.621 -24.628 1.00 34.21 H new ATOM 0 HD1 TYR A 79 -7.975 -10.279 -26.687 1.00 75.33 H new ATOM 0 HD2 TYR A 79 -11.747 -11.009 -24.845 1.00 13.44 H new ATOM 0 HE1 TYR A 79 -8.854 -8.209 -27.673 1.00 63.23 H new ATOM 0 HE2 TYR A 79 -12.631 -8.942 -25.834 1.00 20.11 H new ATOM 0 HH TYR A 79 -12.227 -7.178 -27.099 1.00 33.12 H new ATOM 1253 N ASN A 80 -9.039 -12.489 -21.872 1.00 11.23 N ATOM 1254 CA ASN A 80 -9.646 -12.283 -20.563 1.00 62.50 C ATOM 1255 C ASN A 80 -8.697 -11.530 -19.636 1.00 22.51 C ATOM 1256 O ASN A 80 -9.051 -10.492 -19.076 1.00 72.42 O ATOM 1257 CB ASN A 80 -10.028 -13.627 -19.938 1.00 51.34 C ATOM 1258 CG ASN A 80 -11.529 -13.842 -19.903 1.00 53.44 C ATOM 1259 OD1 ASN A 80 -12.207 -13.731 -20.924 1.00 54.20 O ATOM 1260 ND2 ASN A 80 -12.055 -14.153 -18.724 1.00 53.24 N ATOM 0 H ASN A 80 -8.818 -13.461 -22.086 1.00 11.23 H new ATOM 0 HA ASN A 80 -10.546 -11.683 -20.698 1.00 62.50 H new ATOM 0 HB2 ASN A 80 -9.561 -14.433 -20.504 1.00 51.34 H new ATOM 0 HB3 ASN A 80 -9.632 -13.679 -18.924 1.00 51.34 H new ATOM 0 HD21 ASN A 80 -13.059 -14.310 -18.639 1.00 53.24 H new ATOM 0 HD22 ASN A 80 -11.455 -14.235 -17.903 1.00 53.24 H new ATOM 1267 N THR A 81 -7.488 -12.061 -19.477 1.00 50.31 N ATOM 1268 CA THR A 81 -6.487 -11.440 -18.619 1.00 64.14 C ATOM 1269 C THR A 81 -6.049 -10.088 -19.172 1.00 22.44 C ATOM 1270 O THR A 81 -6.042 -9.087 -18.457 1.00 24.01 O ATOM 1271 CB THR A 81 -5.248 -12.342 -18.457 1.00 45.41 C ATOM 1272 OG1 THR A 81 -5.643 -13.633 -17.978 1.00 13.32 O ATOM 1273 CG2 THR A 81 -4.250 -11.721 -17.492 1.00 12.30 C ATOM 0 H THR A 81 -7.179 -12.920 -19.932 1.00 50.31 H new ATOM 0 HA THR A 81 -6.953 -11.296 -17.644 1.00 64.14 H new ATOM 0 HB THR A 81 -4.770 -12.446 -19.431 1.00 45.41 H new ATOM 0 HG1 THR A 81 -4.851 -14.202 -17.879 1.00 13.32 H new ATOM 0 HG21 THR A 81 -3.384 -12.375 -17.393 1.00 12.30 H new ATOM 0 HG22 THR A 81 -3.931 -10.751 -17.873 1.00 12.30 H new ATOM 0 HG23 THR A 81 -4.719 -11.591 -16.517 1.00 12.30 H new ATOM 1281 N ILE A 82 -5.684 -10.069 -20.449 1.00 11.32 N ATOM 1282 CA ILE A 82 -5.246 -8.840 -21.099 1.00 43.05 C ATOM 1283 C ILE A 82 -6.303 -7.747 -20.978 1.00 21.41 C ATOM 1284 O ILE A 82 -5.990 -6.559 -21.027 1.00 53.54 O ATOM 1285 CB ILE A 82 -4.931 -9.071 -22.589 1.00 42.02 C ATOM 1286 CG1 ILE A 82 -3.847 -10.139 -22.744 1.00 44.05 C ATOM 1287 CG2 ILE A 82 -4.499 -7.769 -23.247 1.00 20.45 C ATOM 1288 CD1 ILE A 82 -3.787 -10.743 -24.129 1.00 41.51 C ATOM 0 H ILE A 82 -5.683 -10.890 -21.054 1.00 11.32 H new ATOM 0 HA ILE A 82 -4.337 -8.521 -20.589 1.00 43.05 H new ATOM 0 HB ILE A 82 -5.835 -9.424 -23.086 1.00 42.02 H new ATOM 0 HG12 ILE A 82 -2.878 -9.699 -22.506 1.00 44.05 H new ATOM 0 HG13 ILE A 82 -4.024 -10.932 -22.018 1.00 44.05 H new ATOM 0 HG21 ILE A 82 -4.280 -7.948 -24.300 1.00 20.45 H new ATOM 0 HG22 ILE A 82 -5.301 -7.035 -23.163 1.00 20.45 H new ATOM 0 HG23 ILE A 82 -3.606 -7.389 -22.750 1.00 20.45 H new ATOM 0 HD11 ILE A 82 -2.996 -11.492 -24.165 1.00 41.51 H new ATOM 0 HD12 ILE A 82 -4.742 -11.213 -24.363 1.00 41.51 H new ATOM 0 HD13 ILE A 82 -3.579 -9.960 -24.859 1.00 41.51 H new ATOM 1300 N ALA A 83 -7.556 -8.159 -20.817 1.00 23.32 N ATOM 1301 CA ALA A 83 -8.660 -7.216 -20.685 1.00 74.15 C ATOM 1302 C ALA A 83 -8.670 -6.573 -19.301 1.00 32.33 C ATOM 1303 O ALA A 83 -8.501 -5.361 -19.167 1.00 32.55 O ATOM 1304 CB ALA A 83 -9.985 -7.913 -20.955 1.00 74.04 C ATOM 0 H ALA A 83 -7.832 -9.140 -20.775 1.00 23.32 H new ATOM 0 HA ALA A 83 -8.521 -6.426 -21.423 1.00 74.15 H new ATOM 0 HB1 ALA A 83 -10.800 -7.197 -20.853 1.00 74.04 H new ATOM 0 HB2 ALA A 83 -9.983 -8.319 -21.967 1.00 74.04 H new ATOM 0 HB3 ALA A 83 -10.122 -8.723 -20.239 1.00 74.04 H new ATOM 1310 N VAL A 84 -8.870 -7.394 -18.275 1.00 40.52 N ATOM 1311 CA VAL A 84 -8.902 -6.906 -16.901 1.00 12.34 C ATOM 1312 C VAL A 84 -7.669 -6.066 -16.588 1.00 72.42 C ATOM 1313 O VAL A 84 -7.749 -5.068 -15.871 1.00 41.34 O ATOM 1314 CB VAL A 84 -8.987 -8.068 -15.894 1.00 24.23 C ATOM 1315 CG1 VAL A 84 -9.023 -7.538 -14.469 1.00 63.40 C ATOM 1316 CG2 VAL A 84 -10.206 -8.933 -16.182 1.00 51.24 C ATOM 0 H VAL A 84 -9.012 -8.400 -18.369 1.00 40.52 H new ATOM 0 HA VAL A 84 -9.794 -6.287 -16.806 1.00 12.34 H new ATOM 0 HB VAL A 84 -8.096 -8.687 -16.003 1.00 24.23 H new ATOM 0 HG11 VAL A 84 -9.083 -8.373 -13.771 1.00 63.40 H new ATOM 0 HG12 VAL A 84 -8.117 -6.964 -14.271 1.00 63.40 H new ATOM 0 HG13 VAL A 84 -9.894 -6.896 -14.342 1.00 63.40 H new ATOM 0 HG21 VAL A 84 -10.251 -9.750 -15.461 1.00 51.24 H new ATOM 0 HG22 VAL A 84 -11.109 -8.328 -16.102 1.00 51.24 H new ATOM 0 HG23 VAL A 84 -10.132 -9.342 -17.190 1.00 51.24 H new ATOM 1326 N LEU A 85 -6.527 -6.476 -17.129 1.00 23.24 N ATOM 1327 CA LEU A 85 -5.275 -5.762 -16.907 1.00 33.10 C ATOM 1328 C LEU A 85 -5.276 -4.423 -17.637 1.00 51.32 C ATOM 1329 O LEU A 85 -4.983 -3.383 -17.047 1.00 41.11 O ATOM 1330 CB LEU A 85 -4.090 -6.610 -17.376 1.00 42.45 C ATOM 1331 CG LEU A 85 -2.724 -6.230 -16.804 1.00 40.52 C ATOM 1332 CD1 LEU A 85 -2.643 -6.595 -15.330 1.00 41.41 C ATOM 1333 CD2 LEU A 85 -1.611 -6.910 -17.586 1.00 1.14 C ATOM 0 H LEU A 85 -6.442 -7.300 -17.725 1.00 23.24 H new ATOM 0 HA LEU A 85 -5.178 -5.573 -15.838 1.00 33.10 H new ATOM 0 HB2 LEU A 85 -4.291 -7.651 -17.122 1.00 42.45 H new ATOM 0 HB3 LEU A 85 -4.035 -6.552 -18.463 1.00 42.45 H new ATOM 0 HG LEU A 85 -2.599 -5.151 -16.897 1.00 40.52 H new ATOM 0 HD11 LEU A 85 -1.664 -6.317 -14.940 1.00 41.41 H new ATOM 0 HD12 LEU A 85 -3.418 -6.061 -14.780 1.00 41.41 H new ATOM 0 HD13 LEU A 85 -2.789 -7.669 -15.212 1.00 41.41 H new ATOM 0 HD21 LEU A 85 -0.646 -6.628 -17.165 1.00 1.14 H new ATOM 0 HD22 LEU A 85 -1.732 -7.992 -17.525 1.00 1.14 H new ATOM 0 HD23 LEU A 85 -1.657 -6.598 -18.629 1.00 1.14 H new ATOM 1345 N TYR A 86 -5.609 -4.456 -18.922 1.00 52.22 N ATOM 1346 CA TYR A 86 -5.649 -3.244 -19.733 1.00 0.54 C ATOM 1347 C TYR A 86 -6.499 -2.168 -19.064 1.00 61.33 C ATOM 1348 O TYR A 86 -6.068 -1.024 -18.916 1.00 23.53 O ATOM 1349 CB TYR A 86 -6.203 -3.555 -21.125 1.00 74.42 C ATOM 1350 CG TYR A 86 -6.469 -2.323 -21.959 1.00 53.43 C ATOM 1351 CD1 TYR A 86 -5.423 -1.540 -22.433 1.00 22.41 C ATOM 1352 CD2 TYR A 86 -7.766 -1.941 -22.275 1.00 3.52 C ATOM 1353 CE1 TYR A 86 -5.662 -0.413 -23.195 1.00 71.32 C ATOM 1354 CE2 TYR A 86 -8.015 -0.816 -23.038 1.00 62.24 C ATOM 1355 CZ TYR A 86 -6.959 -0.055 -23.495 1.00 31.31 C ATOM 1356 OH TYR A 86 -7.201 1.066 -24.255 1.00 52.14 O ATOM 0 H TYR A 86 -5.855 -5.308 -19.425 1.00 52.22 H new ATOM 0 HA TYR A 86 -4.630 -2.868 -19.830 1.00 0.54 H new ATOM 0 HB2 TYR A 86 -5.497 -4.196 -21.653 1.00 74.42 H new ATOM 0 HB3 TYR A 86 -7.129 -4.120 -21.020 1.00 74.42 H new ATOM 0 HD1 TYR A 86 -4.405 -1.818 -22.201 1.00 22.41 H new ATOM 0 HD2 TYR A 86 -8.595 -2.534 -21.918 1.00 3.52 H new ATOM 0 HE1 TYR A 86 -4.837 0.185 -23.554 1.00 71.32 H new ATOM 0 HE2 TYR A 86 -9.030 -0.534 -23.275 1.00 62.24 H new ATOM 0 HH TYR A 86 -8.167 1.177 -24.376 1.00 52.14 H new ATOM 1366 N CYS A 87 -7.707 -2.545 -18.661 1.00 51.32 N ATOM 1367 CA CYS A 87 -8.620 -1.613 -18.007 1.00 33.02 C ATOM 1368 C CYS A 87 -7.937 -0.916 -16.834 1.00 22.42 C ATOM 1369 O CYS A 87 -8.261 0.223 -16.501 1.00 2.23 O ATOM 1370 CB CYS A 87 -9.871 -2.347 -17.523 1.00 71.42 C ATOM 1371 SG CYS A 87 -10.971 -2.885 -18.852 1.00 10.35 S ATOM 0 H CYS A 87 -8.077 -3.489 -18.775 1.00 51.32 H new ATOM 0 HA CYS A 87 -8.912 -0.856 -18.735 1.00 33.02 H new ATOM 0 HB2 CYS A 87 -9.567 -3.218 -16.943 1.00 71.42 H new ATOM 0 HB3 CYS A 87 -10.425 -1.693 -16.849 1.00 71.42 H new ATOM 0 HG CYS A 87 -12.159 -3.104 -18.371 1.00 10.35 H new ATOM 1377 N VAL A 88 -6.991 -1.612 -16.209 1.00 24.10 N ATOM 1378 CA VAL A 88 -6.264 -1.062 -15.072 1.00 40.04 C ATOM 1379 C VAL A 88 -5.239 -0.027 -15.524 1.00 12.51 C ATOM 1380 O VAL A 88 -5.063 1.010 -14.883 1.00 34.13 O ATOM 1381 CB VAL A 88 -5.544 -2.168 -14.277 1.00 14.50 C ATOM 1382 CG1 VAL A 88 -4.912 -1.595 -13.019 1.00 25.20 C ATOM 1383 CG2 VAL A 88 -6.510 -3.291 -13.936 1.00 30.13 C ATOM 0 H VAL A 88 -6.711 -2.557 -16.472 1.00 24.10 H new ATOM 0 HA VAL A 88 -7.001 -0.583 -14.427 1.00 40.04 H new ATOM 0 HB VAL A 88 -4.748 -2.580 -14.898 1.00 14.50 H new ATOM 0 HG11 VAL A 88 -4.408 -2.391 -12.470 1.00 25.20 H new ATOM 0 HG12 VAL A 88 -4.188 -0.828 -13.293 1.00 25.20 H new ATOM 0 HG13 VAL A 88 -5.686 -1.155 -12.391 1.00 25.20 H new ATOM 0 HG21 VAL A 88 -5.986 -4.064 -13.374 1.00 30.13 H new ATOM 0 HG22 VAL A 88 -7.328 -2.897 -13.333 1.00 30.13 H new ATOM 0 HG23 VAL A 88 -6.910 -3.719 -14.855 1.00 30.13 H new ATOM 1393 N HIS A 89 -4.565 -0.315 -16.633 1.00 1.51 N ATOM 1394 CA HIS A 89 -3.557 0.591 -17.174 1.00 44.21 C ATOM 1395 C HIS A 89 -4.213 1.809 -17.819 1.00 33.23 C ATOM 1396 O HIS A 89 -3.494 2.780 -18.051 1.00 1.31 O ATOM 1397 CB HIS A 89 -2.685 -0.135 -18.198 1.00 51.40 C ATOM 1398 CG HIS A 89 -1.946 -1.307 -17.631 1.00 20.45 C ATOM 1399 ND1 HIS A 89 -1.703 -1.464 -16.283 1.00 22.43 N ATOM 1400 CD2 HIS A 89 -1.395 -2.385 -18.238 1.00 14.22 C ATOM 1401 CE1 HIS A 89 -1.035 -2.586 -16.085 1.00 13.34 C ATOM 1402 NE2 HIS A 89 -0.836 -3.164 -17.256 1.00 12.53 N ATOM 0 H HIS A 89 -4.698 -1.169 -17.175 1.00 1.51 H new ATOM 0 HA HIS A 89 -2.929 0.931 -16.350 1.00 44.21 H new ATOM 0 HB2 HIS A 89 -3.313 -0.476 -19.021 1.00 51.40 H new ATOM 0 HB3 HIS A 89 -1.966 0.570 -18.616 1.00 51.40 H new ATOM 0 HD1 HIS A 89 -1.994 -0.815 -15.552 1.00 22.43 H new ATOM 0 HD2 HIS A 89 -1.395 -2.593 -19.298 1.00 14.22 H new ATOM 0 HE1 HIS A 89 -0.707 -2.966 -15.129 1.00 13.34 H new ATOM 1411 N GLN A 90 -5.511 1.784 -18.103 1.00 11.42 N ATOM 1412 CA GLN A 90 -6.180 2.923 -18.720 1.00 41.51 C ATOM 1413 C GLN A 90 -6.898 3.766 -17.672 1.00 24.10 C ATOM 1414 O GLN A 90 -6.463 4.871 -17.345 1.00 2.34 O ATOM 1415 CB GLN A 90 -7.177 2.446 -19.778 1.00 25.41 C ATOM 1416 CG GLN A 90 -7.906 3.578 -20.482 1.00 64.13 C ATOM 1417 CD GLN A 90 -6.961 4.622 -21.041 1.00 54.42 C ATOM 1418 OE1 GLN A 90 -6.811 5.706 -20.476 1.00 13.11 O ATOM 1419 NE2 GLN A 90 -6.316 4.301 -22.157 1.00 61.21 N ATOM 0 H GLN A 90 -6.120 0.988 -17.916 1.00 11.42 H new ATOM 0 HA GLN A 90 -5.421 3.541 -19.199 1.00 41.51 H new ATOM 0 HB2 GLN A 90 -6.648 1.849 -20.521 1.00 25.41 H new ATOM 0 HB3 GLN A 90 -7.910 1.792 -19.306 1.00 25.41 H new ATOM 0 HG2 GLN A 90 -8.509 3.168 -21.292 1.00 64.13 H new ATOM 0 HG3 GLN A 90 -8.593 4.053 -19.782 1.00 64.13 H new ATOM 0 HE21 GLN A 90 -6.471 3.391 -22.592 1.00 61.21 H new ATOM 0 HE22 GLN A 90 -5.666 4.964 -22.579 1.00 61.21 H new ATOM 1428 N ARG A 91 -7.999 3.239 -17.147 1.00 24.34 N ATOM 1429 CA ARG A 91 -8.778 3.943 -16.136 1.00 44.30 C ATOM 1430 C ARG A 91 -9.977 3.109 -15.694 1.00 54.50 C ATOM 1431 O ARG A 91 -10.370 3.138 -14.528 1.00 30.20 O ATOM 1432 CB ARG A 91 -9.254 5.292 -16.678 1.00 10.32 C ATOM 1433 CG ARG A 91 -9.097 6.435 -15.689 1.00 63.31 C ATOM 1434 CD ARG A 91 -10.045 7.581 -16.007 1.00 64.34 C ATOM 1435 NE ARG A 91 -9.352 8.866 -16.058 1.00 60.41 N ATOM 1436 CZ ARG A 91 -9.967 10.025 -16.264 1.00 23.21 C ATOM 1437 NH1 ARG A 91 -11.281 10.061 -16.437 1.00 22.31 N ATOM 1438 NH2 ARG A 91 -9.267 11.152 -16.297 1.00 2.24 N ATOM 0 H ARG A 91 -8.372 2.326 -17.406 1.00 24.34 H new ATOM 0 HA ARG A 91 -8.136 4.111 -15.271 1.00 44.30 H new ATOM 0 HB2 ARG A 91 -8.696 5.527 -17.584 1.00 10.32 H new ATOM 0 HB3 ARG A 91 -10.303 5.210 -16.962 1.00 10.32 H new ATOM 0 HG2 ARG A 91 -9.288 6.073 -14.679 1.00 63.31 H new ATOM 0 HG3 ARG A 91 -8.069 6.796 -15.709 1.00 63.31 H new ATOM 0 HD2 ARG A 91 -10.532 7.394 -16.964 1.00 64.34 H new ATOM 0 HD3 ARG A 91 -10.830 7.622 -15.252 1.00 64.34 H new ATOM 0 HE ARG A 91 -8.340 8.874 -15.928 1.00 60.41 H new ATOM 0 HH11 ARG A 91 -11.823 9.197 -16.412 1.00 22.31 H new ATOM 0 HH12 ARG A 91 -11.750 10.953 -16.595 1.00 22.31 H new ATOM 0 HH21 ARG A 91 -8.256 11.128 -16.164 1.00 2.24 H new ATOM 0 HH22 ARG A 91 -9.740 12.042 -16.455 1.00 2.24 H new ATOM 1452 N ILE A 92 -10.554 2.368 -16.634 1.00 54.21 N ATOM 1453 CA ILE A 92 -11.708 1.526 -16.342 1.00 30.41 C ATOM 1454 C ILE A 92 -11.439 0.622 -15.144 1.00 74.54 C ATOM 1455 O ILE A 92 -10.430 -0.084 -15.099 1.00 45.43 O ATOM 1456 CB ILE A 92 -12.090 0.654 -17.552 1.00 0.14 C ATOM 1457 CG1 ILE A 92 -12.390 1.533 -18.767 1.00 54.54 C ATOM 1458 CG2 ILE A 92 -13.288 -0.222 -17.217 1.00 50.12 C ATOM 1459 CD1 ILE A 92 -11.306 1.499 -19.822 1.00 10.40 C ATOM 0 H ILE A 92 -10.241 2.334 -17.604 1.00 54.21 H new ATOM 0 HA ILE A 92 -12.536 2.196 -16.111 1.00 30.41 H new ATOM 0 HB ILE A 92 -11.247 0.006 -17.794 1.00 0.14 H new ATOM 0 HG12 ILE A 92 -13.331 1.211 -19.214 1.00 54.54 H new ATOM 0 HG13 ILE A 92 -12.530 2.562 -18.435 1.00 54.54 H new ATOM 0 HG21 ILE A 92 -13.546 -0.832 -18.082 1.00 50.12 H new ATOM 0 HG22 ILE A 92 -13.041 -0.870 -16.376 1.00 50.12 H new ATOM 0 HG23 ILE A 92 -14.137 0.408 -16.952 1.00 50.12 H new ATOM 0 HD11 ILE A 92 -11.587 2.145 -20.653 1.00 10.40 H new ATOM 0 HD12 ILE A 92 -10.368 1.849 -19.391 1.00 10.40 H new ATOM 0 HD13 ILE A 92 -11.181 0.478 -20.182 1.00 10.40 H new ATOM 1471 N ASP A 93 -12.347 0.647 -14.175 1.00 72.23 N ATOM 1472 CA ASP A 93 -12.209 -0.172 -12.976 1.00 21.40 C ATOM 1473 C ASP A 93 -13.386 -1.132 -12.837 1.00 62.15 C ATOM 1474 O ASP A 93 -14.278 -0.921 -12.014 1.00 5.42 O ATOM 1475 CB ASP A 93 -12.108 0.715 -11.734 1.00 52.34 C ATOM 1476 CG ASP A 93 -11.615 -0.044 -10.518 1.00 1.42 C ATOM 1477 OD1 ASP A 93 -11.385 -1.266 -10.636 1.00 71.13 O ATOM 1478 OD2 ASP A 93 -11.460 0.583 -9.450 1.00 71.50 O ATOM 0 H ASP A 93 -13.187 1.226 -14.196 1.00 72.23 H new ATOM 0 HA ASP A 93 -11.294 -0.757 -13.069 1.00 21.40 H new ATOM 0 HB2 ASP A 93 -11.432 1.546 -11.938 1.00 52.34 H new ATOM 0 HB3 ASP A 93 -13.086 1.145 -11.518 1.00 52.34 H new ATOM 1483 N VAL A 94 -13.382 -2.187 -13.645 1.00 44.30 N ATOM 1484 CA VAL A 94 -14.451 -3.180 -13.612 1.00 54.42 C ATOM 1485 C VAL A 94 -14.298 -4.111 -12.415 1.00 71.44 C ATOM 1486 O VAL A 94 -13.314 -4.036 -11.677 1.00 4.24 O ATOM 1487 CB VAL A 94 -14.476 -4.020 -14.903 1.00 73.23 C ATOM 1488 CG1 VAL A 94 -14.603 -3.121 -16.123 1.00 40.44 C ATOM 1489 CG2 VAL A 94 -13.231 -4.888 -14.997 1.00 22.53 C ATOM 0 H VAL A 94 -12.651 -2.377 -14.331 1.00 44.30 H new ATOM 0 HA VAL A 94 -15.390 -2.633 -13.525 1.00 54.42 H new ATOM 0 HB VAL A 94 -15.347 -4.675 -14.873 1.00 73.23 H new ATOM 0 HG11 VAL A 94 -14.619 -3.732 -17.025 1.00 40.44 H new ATOM 0 HG12 VAL A 94 -15.527 -2.547 -16.057 1.00 40.44 H new ATOM 0 HG13 VAL A 94 -13.754 -2.439 -16.162 1.00 40.44 H new ATOM 0 HG21 VAL A 94 -13.265 -5.475 -15.915 1.00 22.53 H new ATOM 0 HG22 VAL A 94 -12.345 -4.253 -15.005 1.00 22.53 H new ATOM 0 HG23 VAL A 94 -13.190 -5.559 -14.139 1.00 22.53 H new ATOM 1499 N LYS A 95 -15.276 -4.990 -12.228 1.00 3.31 N ATOM 1500 CA LYS A 95 -15.251 -5.939 -11.121 1.00 31.03 C ATOM 1501 C LYS A 95 -14.899 -7.340 -11.614 1.00 44.13 C ATOM 1502 O LYS A 95 -14.355 -8.153 -10.865 1.00 2.51 O ATOM 1503 CB LYS A 95 -16.607 -5.962 -10.411 1.00 54.23 C ATOM 1504 CG LYS A 95 -16.515 -6.323 -8.938 1.00 42.40 C ATOM 1505 CD LYS A 95 -17.637 -5.684 -8.137 1.00 4.24 C ATOM 1506 CE LYS A 95 -18.804 -6.642 -7.951 1.00 32.15 C ATOM 1507 NZ LYS A 95 -18.409 -7.857 -7.186 1.00 73.43 N ATOM 0 H LYS A 95 -16.097 -5.065 -12.829 1.00 3.31 H new ATOM 0 HA LYS A 95 -14.484 -5.617 -10.416 1.00 31.03 H new ATOM 0 HB2 LYS A 95 -17.075 -4.983 -10.508 1.00 54.23 H new ATOM 0 HB3 LYS A 95 -17.258 -6.678 -10.912 1.00 54.23 H new ATOM 0 HG2 LYS A 95 -16.557 -7.406 -8.825 1.00 42.40 H new ATOM 0 HG3 LYS A 95 -15.553 -5.998 -8.542 1.00 42.40 H new ATOM 0 HD2 LYS A 95 -17.259 -5.375 -7.162 1.00 4.24 H new ATOM 0 HD3 LYS A 95 -17.981 -4.783 -8.645 1.00 4.24 H new ATOM 0 HE2 LYS A 95 -19.613 -6.131 -7.429 1.00 32.15 H new ATOM 0 HE3 LYS A 95 -19.190 -6.937 -8.927 1.00 32.15 H new ATOM 0 HZ1 LYS A 95 -19.223 -8.203 -6.639 1.00 73.43 H new ATOM 0 HZ2 LYS A 95 -18.096 -8.597 -7.847 1.00 73.43 H new ATOM 0 HZ3 LYS A 95 -17.631 -7.621 -6.537 1.00 73.43 H new ATOM 1521 N ASP A 96 -15.213 -7.614 -12.875 1.00 22.23 N ATOM 1522 CA ASP A 96 -14.928 -8.915 -13.468 1.00 21.44 C ATOM 1523 C ASP A 96 -14.393 -8.760 -14.888 1.00 31.03 C ATOM 1524 O ASP A 96 -14.305 -7.649 -15.413 1.00 4.15 O ATOM 1525 CB ASP A 96 -16.187 -9.783 -13.475 1.00 32.12 C ATOM 1526 CG ASP A 96 -17.439 -8.985 -13.782 1.00 71.40 C ATOM 1527 OD1 ASP A 96 -17.625 -8.601 -14.955 1.00 13.35 O ATOM 1528 OD2 ASP A 96 -18.232 -8.744 -12.848 1.00 11.22 O ATOM 0 H ASP A 96 -15.665 -6.953 -13.506 1.00 22.23 H new ATOM 0 HA ASP A 96 -14.164 -9.403 -12.863 1.00 21.44 H new ATOM 0 HB2 ASP A 96 -16.074 -10.575 -14.215 1.00 32.12 H new ATOM 0 HB3 ASP A 96 -16.297 -10.267 -12.504 1.00 32.12 H new ATOM 1533 N THR A 97 -14.036 -9.882 -15.506 1.00 41.01 N ATOM 1534 CA THR A 97 -13.508 -9.871 -16.865 1.00 63.54 C ATOM 1535 C THR A 97 -14.624 -9.685 -17.886 1.00 32.02 C ATOM 1536 O THR A 97 -14.397 -9.171 -18.982 1.00 0.22 O ATOM 1537 CB THR A 97 -12.748 -11.172 -17.183 1.00 74.22 C ATOM 1538 OG1 THR A 97 -11.731 -11.398 -16.199 1.00 5.12 O ATOM 1539 CG2 THR A 97 -12.117 -11.107 -18.565 1.00 41.10 C ATOM 0 H THR A 97 -14.103 -10.810 -15.087 1.00 41.01 H new ATOM 0 HA THR A 97 -12.817 -9.031 -16.929 1.00 63.54 H new ATOM 0 HB THR A 97 -13.461 -11.996 -17.165 1.00 74.22 H new ATOM 0 HG1 THR A 97 -11.890 -12.258 -15.756 1.00 5.12 H new ATOM 0 HG21 THR A 97 -11.586 -12.037 -18.767 1.00 41.10 H new ATOM 0 HG22 THR A 97 -12.896 -10.964 -19.314 1.00 41.10 H new ATOM 0 HG23 THR A 97 -11.416 -10.273 -18.606 1.00 41.10 H new ATOM 1547 N LYS A 98 -15.830 -10.105 -17.521 1.00 3.15 N ATOM 1548 CA LYS A 98 -16.983 -9.984 -18.406 1.00 20.22 C ATOM 1549 C LYS A 98 -17.293 -8.519 -18.696 1.00 3.43 C ATOM 1550 O LYS A 98 -17.535 -8.144 -19.844 1.00 62.14 O ATOM 1551 CB LYS A 98 -18.205 -10.661 -17.780 1.00 60.14 C ATOM 1552 CG LYS A 98 -19.497 -10.403 -18.536 1.00 64.33 C ATOM 1553 CD LYS A 98 -20.257 -9.222 -17.954 1.00 21.13 C ATOM 1554 CE LYS A 98 -21.717 -9.235 -18.380 1.00 60.44 C ATOM 1555 NZ LYS A 98 -22.557 -8.368 -17.507 1.00 30.50 N ATOM 0 H LYS A 98 -16.035 -10.533 -16.618 1.00 3.15 H new ATOM 0 HA LYS A 98 -16.743 -10.480 -19.346 1.00 20.22 H new ATOM 0 HB2 LYS A 98 -18.030 -11.736 -17.733 1.00 60.14 H new ATOM 0 HB3 LYS A 98 -18.318 -10.311 -16.754 1.00 60.14 H new ATOM 0 HG2 LYS A 98 -19.274 -10.212 -19.586 1.00 64.33 H new ATOM 0 HG3 LYS A 98 -20.124 -11.294 -18.501 1.00 64.33 H new ATOM 0 HD2 LYS A 98 -20.194 -9.248 -16.866 1.00 21.13 H new ATOM 0 HD3 LYS A 98 -19.790 -8.292 -18.278 1.00 21.13 H new ATOM 0 HE2 LYS A 98 -21.797 -8.896 -19.413 1.00 60.44 H new ATOM 0 HE3 LYS A 98 -22.095 -10.257 -18.349 1.00 60.44 H new ATOM 0 HZ1 LYS A 98 -23.545 -8.404 -17.830 1.00 30.50 H new ATOM 0 HZ2 LYS A 98 -22.501 -8.706 -16.525 1.00 30.50 H new ATOM 0 HZ3 LYS A 98 -22.212 -7.388 -17.556 1.00 30.50 H new ATOM 1569 N GLU A 99 -17.284 -7.698 -17.652 1.00 73.10 N ATOM 1570 CA GLU A 99 -17.564 -6.274 -17.798 1.00 72.30 C ATOM 1571 C GLU A 99 -16.482 -5.590 -18.628 1.00 43.24 C ATOM 1572 O GLU A 99 -16.780 -4.819 -19.540 1.00 32.21 O ATOM 1573 CB GLU A 99 -17.666 -5.608 -16.423 1.00 33.34 C ATOM 1574 CG GLU A 99 -18.081 -4.149 -16.484 1.00 45.54 C ATOM 1575 CD GLU A 99 -18.836 -3.705 -15.246 1.00 52.24 C ATOM 1576 OE1 GLU A 99 -20.017 -4.086 -15.103 1.00 31.23 O ATOM 1577 OE2 GLU A 99 -18.247 -2.977 -14.420 1.00 75.31 O ATOM 0 H GLU A 99 -17.086 -7.993 -16.696 1.00 73.10 H new ATOM 0 HA GLU A 99 -18.517 -6.168 -18.316 1.00 72.30 H new ATOM 0 HB2 GLU A 99 -18.386 -6.157 -15.815 1.00 33.34 H new ATOM 0 HB3 GLU A 99 -16.702 -5.682 -15.920 1.00 33.34 H new ATOM 0 HG2 GLU A 99 -17.194 -3.528 -16.606 1.00 45.54 H new ATOM 0 HG3 GLU A 99 -18.706 -3.989 -17.363 1.00 45.54 H new ATOM 1584 N ALA A 100 -15.226 -5.876 -18.304 1.00 54.25 N ATOM 1585 CA ALA A 100 -14.099 -5.289 -19.019 1.00 3.30 C ATOM 1586 C ALA A 100 -14.179 -5.593 -20.511 1.00 33.51 C ATOM 1587 O ALA A 100 -13.638 -4.855 -21.336 1.00 61.34 O ATOM 1588 CB ALA A 100 -12.786 -5.798 -18.444 1.00 21.44 C ATOM 0 H ALA A 100 -14.963 -6.511 -17.551 1.00 54.25 H new ATOM 0 HA ALA A 100 -14.143 -4.207 -18.892 1.00 3.30 H new ATOM 0 HB1 ALA A 100 -11.953 -5.351 -18.988 1.00 21.44 H new ATOM 0 HB2 ALA A 100 -12.720 -5.525 -17.391 1.00 21.44 H new ATOM 0 HB3 ALA A 100 -12.743 -6.883 -18.541 1.00 21.44 H new ATOM 1594 N LEU A 101 -14.855 -6.685 -20.853 1.00 65.31 N ATOM 1595 CA LEU A 101 -15.005 -7.088 -22.247 1.00 75.33 C ATOM 1596 C LEU A 101 -16.005 -6.189 -22.969 1.00 72.41 C ATOM 1597 O LEU A 101 -15.735 -5.701 -24.066 1.00 45.43 O ATOM 1598 CB LEU A 101 -15.458 -8.546 -22.332 1.00 64.02 C ATOM 1599 CG LEU A 101 -14.746 -9.411 -23.372 1.00 70.42 C ATOM 1600 CD1 LEU A 101 -15.013 -8.887 -24.774 1.00 33.43 C ATOM 1601 CD2 LEU A 101 -13.251 -9.457 -23.093 1.00 33.24 C ATOM 0 H LEU A 101 -15.308 -7.307 -20.184 1.00 65.31 H new ATOM 0 HA LEU A 101 -14.035 -6.987 -22.735 1.00 75.33 H new ATOM 0 HB2 LEU A 101 -15.322 -9.005 -21.353 1.00 64.02 H new ATOM 0 HB3 LEU A 101 -16.527 -8.561 -22.546 1.00 64.02 H new ATOM 0 HG LEU A 101 -15.139 -10.425 -23.305 1.00 70.42 H new ATOM 0 HD11 LEU A 101 -14.498 -9.515 -25.501 1.00 33.43 H new ATOM 0 HD12 LEU A 101 -16.085 -8.906 -24.972 1.00 33.43 H new ATOM 0 HD13 LEU A 101 -14.648 -7.863 -24.856 1.00 33.43 H new ATOM 0 HD21 LEU A 101 -12.760 -10.077 -23.843 1.00 33.24 H new ATOM 0 HD22 LEU A 101 -12.842 -8.447 -23.133 1.00 33.24 H new ATOM 0 HD23 LEU A 101 -13.078 -9.880 -22.103 1.00 33.24 H new ATOM 1613 N ASP A 102 -17.157 -5.975 -22.343 1.00 10.54 N ATOM 1614 CA ASP A 102 -18.196 -5.132 -22.925 1.00 0.23 C ATOM 1615 C ASP A 102 -17.722 -3.687 -23.041 1.00 2.40 C ATOM 1616 O ASP A 102 -18.132 -2.959 -23.945 1.00 54.32 O ATOM 1617 CB ASP A 102 -19.468 -5.199 -22.079 1.00 25.33 C ATOM 1618 CG ASP A 102 -20.687 -5.578 -22.896 1.00 5.11 C ATOM 1619 OD1 ASP A 102 -20.915 -4.948 -23.950 1.00 33.33 O ATOM 1620 OD2 ASP A 102 -21.416 -6.504 -22.481 1.00 54.13 O ATOM 0 H ASP A 102 -17.395 -6.373 -21.434 1.00 10.54 H new ATOM 0 HA ASP A 102 -18.414 -5.504 -23.926 1.00 0.23 H new ATOM 0 HB2 ASP A 102 -19.331 -5.926 -21.278 1.00 25.33 H new ATOM 0 HB3 ASP A 102 -19.638 -4.232 -21.606 1.00 25.33 H new ATOM 1625 N LYS A 103 -16.858 -3.277 -22.119 1.00 62.44 N ATOM 1626 CA LYS A 103 -16.328 -1.919 -22.116 1.00 14.12 C ATOM 1627 C LYS A 103 -15.432 -1.682 -23.329 1.00 5.12 C ATOM 1628 O LYS A 103 -15.514 -0.638 -23.976 1.00 15.42 O ATOM 1629 CB LYS A 103 -15.540 -1.659 -20.830 1.00 23.23 C ATOM 1630 CG LYS A 103 -15.791 -0.287 -20.230 1.00 21.01 C ATOM 1631 CD LYS A 103 -16.609 -0.377 -18.953 1.00 3.45 C ATOM 1632 CE LYS A 103 -18.099 -0.456 -19.250 1.00 50.41 C ATOM 1633 NZ LYS A 103 -18.918 0.070 -18.123 1.00 21.40 N ATOM 0 H LYS A 103 -16.510 -3.867 -21.363 1.00 62.44 H new ATOM 0 HA LYS A 103 -17.169 -1.228 -22.166 1.00 14.12 H new ATOM 0 HB2 LYS A 103 -15.799 -2.421 -20.095 1.00 23.23 H new ATOM 0 HB3 LYS A 103 -14.475 -1.766 -21.038 1.00 23.23 H new ATOM 0 HG2 LYS A 103 -14.838 0.199 -20.019 1.00 21.01 H new ATOM 0 HG3 LYS A 103 -16.314 0.338 -20.954 1.00 21.01 H new ATOM 0 HD2 LYS A 103 -16.303 -1.255 -18.385 1.00 3.45 H new ATOM 0 HD3 LYS A 103 -16.407 0.493 -18.328 1.00 3.45 H new ATOM 0 HE2 LYS A 103 -18.320 0.111 -20.155 1.00 50.41 H new ATOM 0 HE3 LYS A 103 -18.376 -1.492 -19.447 1.00 50.41 H new ATOM 0 HZ1 LYS A 103 -19.927 -0.001 -18.364 1.00 21.40 H new ATOM 0 HZ2 LYS A 103 -18.727 -0.487 -17.266 1.00 21.40 H new ATOM 0 HZ3 LYS A 103 -18.673 1.066 -17.951 1.00 21.40 H new ATOM 1647 N ILE A 104 -14.583 -2.658 -23.630 1.00 13.11 N ATOM 1648 CA ILE A 104 -13.676 -2.555 -24.767 1.00 74.31 C ATOM 1649 C ILE A 104 -14.421 -2.746 -26.084 1.00 33.10 C ATOM 1650 O ILE A 104 -14.041 -2.181 -27.109 1.00 43.45 O ATOM 1651 CB ILE A 104 -12.541 -3.593 -24.676 1.00 15.23 C ATOM 1652 CG1 ILE A 104 -11.752 -3.407 -23.379 1.00 34.13 C ATOM 1653 CG2 ILE A 104 -11.622 -3.479 -25.883 1.00 14.41 C ATOM 1654 CD1 ILE A 104 -10.848 -4.574 -23.050 1.00 75.54 C ATOM 0 H ILE A 104 -14.504 -3.528 -23.104 1.00 13.11 H new ATOM 0 HA ILE A 104 -13.246 -1.554 -24.739 1.00 74.31 H new ATOM 0 HB ILE A 104 -12.980 -4.591 -24.671 1.00 15.23 H new ATOM 0 HG12 ILE A 104 -11.150 -2.502 -23.456 1.00 34.13 H new ATOM 0 HG13 ILE A 104 -12.451 -3.256 -22.556 1.00 34.13 H new ATOM 0 HG21 ILE A 104 -10.825 -4.219 -25.805 1.00 14.41 H new ATOM 0 HG22 ILE A 104 -12.194 -3.657 -26.794 1.00 14.41 H new ATOM 0 HG23 ILE A 104 -11.188 -2.480 -25.917 1.00 14.41 H new ATOM 0 HD11 ILE A 104 -10.320 -4.374 -22.118 1.00 75.54 H new ATOM 0 HD12 ILE A 104 -11.447 -5.478 -22.941 1.00 75.54 H new ATOM 0 HD13 ILE A 104 -10.125 -4.712 -23.854 1.00 75.54 H new